A1CUQ
Summary
| Name: | 3-(1H-pyrrol-1-yl)benzene-1-carbothioamide |
| Formula: | C11 H10 N2 S |
| Formal charge: | 0 |
| Formula weight: | 202.275 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-(1H-pyrrol-1-yl)benzene-1-carbothioamide |
| OpenEye OEToolkits | 3.1.0.0 | 3-pyrrol-1-ylbenzenecarbothioamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=S)c1cccc(c1)n1cccc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H10N2S/c12-11(14)9-4-3-5-10(8-9)13-6-1-2-7-13/h1-8H,(H2,12,14) |
| InChIKey | InChI | 1.06 | LKZUYCBQOPNMNQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=S)c1cccc(c1)n2cccc2 |
| SMILES | CACTVS | 3.385 | NC(=S)c1cccc(c1)n2cccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccn(c1)c2cccc(c2)C(=S)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccn(c1)c2cccc(c2)C(=S)N |
