A1EOA
Summary
| Name: | 3-[bis(thiophen-3-ylmethyl)amino]-1~{H}-pyrazole-5-carboxylic acid |
| Formula: | C14 H13 N3 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 319.402 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[bis(thiophen-3-ylmethyl)amino]-1~{H}-pyrazole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H13N3O2S2/c18-14(19)12-5-13(16-15-12)17(6-10-1-3-20-8-10)7-11-2-4-21-9-11/h1-5,8-9H,6-7H2,(H,15,16)(H,18,19) |
| InChIKey | InChI | 1.06 | SQUDZZYXGWLQLZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1[nH]nc(c1)N(Cc2cscc2)Cc3cscc3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1[nH]nc(c1)N(Cc2cscc2)Cc3cscc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cscc1CN(Cc2ccsc2)c3cc([nH]n3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cscc1CN(Cc2ccsc2)c3cc([nH]n3)C(=O)O |
