T07
Summary
| Name: | 5-[(2,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine |
| Formula: | C9 H8 Cl2 N4 S |
| Formal charge: | 0 |
| Formula weight: | 275.158 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 5-[(2,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine |
| OpenEye OEToolkits | 1.6.1 | 5-[(2,4-dichlorophenyl)methylsulfanyl]-4H-1,2,4-triazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | Clc1ccc(c(Cl)c1)CSc2nnc(N)n2 |
| SMILES_CANONICAL | CACTVS | 3.352 | Nc1[nH]c(SCc2ccc(Cl)cc2Cl)nn1 |
| SMILES | CACTVS | 3.352 | Nc1[nH]c(SCc2ccc(Cl)cc2Cl)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1Cl)Cl)CSc2[nH]c(nn2)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1Cl)Cl)CSc2[nH]c(nn2)N |
| InChI | InChI | 1.03 | InChI=1S/C9H8Cl2N4S/c10-6-2-1-5(7(11)3-6)4-16-9-13-8(12)14-15-9/h1-3H,4H2,(H3,12,13,14,15) |
| InChIKey | InChI | 1.03 | ZOVIHJUPKVOGKF-UHFFFAOYSA-N |
