| PDB CCD ID: | V5C |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H13 N3 O S |
| InChI: | InChI=1S/C11H13N3OS/c1-9-13-10(8-16-9)4-5-11(15)14(2)7-3-6-12/h4-5,8H,3,7H2,1-2H3/b5-4+ |
| InChIKey: | KVNDRCGLFPVTJC-SNAWJCMRSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CN(CCC#N)C(=O)\C=C\c1csc(C)n1 | | CACTVS 3.385 | CN(CCC#N)C(=O)C=Cc1csc(C)n1 | | ACDLabs 12.01 | Cc1nc(/C=C/C(=O)N(C)CCC#N)cs1 | | OpenEye OEToolkits 2.0.7 | Cc1nc(cs1)C=CC(=O)N(C)CCC#N | | OpenEye OEToolkits 2.0.7 | Cc1nc(cs1)/C=C/C(=O)N(C)CCC#N |
|
| Name: | (2E)-N-(2-cyanoethyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide |
| ZINC: | ZINC000058185940 |
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