2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[1-(2-cyanoethyl)-3-methyl-pyrazol-4-yl]methylideneamino]ethanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[1-(2-cyanoethyl)-3-methyl-pyrazol-4-yl]methylideneamino]ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[1-(2-cyanoethyl)-3-methyl-pyrazol-4-yl]methyleneamino]acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-[(E)-[1-(2-cyanoethyl)-3-methyl-4-pyrazolyl]methylideneamino]acetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[1-(2-cyanoethyl)-3-methylpyrazol-4-yl]methylideneamino]acetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-[(E)-[1-(2-cyanoethyl)-3-methyl-pyrazol-4-yl]methyleneamino]acetamide Formula: C17H17N7OS MolecularWeight: 367.42818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C=NNC(=O)CSC2=NC3=CC=CC=C3N2)CCC#N

Isomeric SMILES

CC1=NN(C=C1/C=N/NC(=O)CSC2=NC3=CC=CC=C3N2)CCC#N

InChI

InChI=1S/C17H17N7OS/c1-12-13(10-24(23-12)8-4-7-18)9-19-22-16(25)11-26-17-20-14-5-2-3-6-15(14)21-17/h2-3,5-6,9-10H,4,8,11H2,1H3,(H,20,21)(H,22,25)/b19-9+