N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H18N6OS MolecularWeight: 366.44012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NNC(=N2)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NNC(=N2)C)C3=CC=CC=C3)C

InChI

InChI=1S/C18H18N6OS/c1-11-12(2)24(14-7-5-4-6-8-14)17(15(11)9-19)21-16(25)10-26-18-20-13(3)22-23-18/h4-8H,10H2,1-3H3,(H,21,25)(H,20,22,23)