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Summary
| Name: | 1-(3-PHENYL-1,2,4-THIADIAZOL-5-YL)-1,4-DIAZEPANE |
| Formula: | C13 H16 N4 S |
| Formal charge: | 0 |
| Formula weight: | 260.358 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane |
| OpenEye OEToolkits | 1.9.2 | 5-(1,4-diazepan-1-yl)-3-phenyl-1,2,4-thiadiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(snc1c2ccccc2)N3CCCNCC3 |
| InChI | InChI | 1.03 | InChI=1S/C13H16N4S/c1-2-5-11(6-3-1)12-15-13(18-16-12)17-9-4-7-14-8-10-17/h1-3,5-6,14H,4,7-10H2 |
| InChIKey | InChI | 1.03 | IENGAZSTLAONAR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CNCCN(C1)c2snc(n2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | C1CNCCN(C1)c2snc(n2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2nc(sn2)N3CCCNCC3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2nc(sn2)N3CCCNCC3 |
