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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-(1,3,4-thiadiazol-2-ylthio)acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(1,3,4-thiadiazol-2-ylthio)acetamide Formula: C18H17N5OS2 MolecularWeight: 383.49048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NN=CS2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NN=CS2)CC3=CC=CC=C3)C

InChI

InChI=1S/C18H17N5OS2/c1-12-13(2)23(9-14-6-4-3-5-7-14)17(15(12)8-19)21-16(24)10-25-18-22-20-11-26-18/h3-7,11H,9-10H2,1-2H3,(H,21,24)