N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C18H18N6OS MolecularWeight: 366.44012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NN2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NN2)CC3=CC=CC=C3)C

InChI

InChI=1S/C18H18N6OS/c1-12-13(2)24(9-14-6-4-3-5-7-14)17(15(12)8-19)22-16(25)10-26-18-20-11-21-23-18/h3-7,11H,9-10H2,1-2H3,(H,22,25)(H,20,21,23)