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

Systemtic Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6OS/c1-12(2)18-23-20(25-24-18)28-11-17(27)22-19-16(10-21)13(3)14(4)26(19)15-8-6-5-7-9-15/h5-9,12H,11H2,1-4H3,(H,22,27)(H,23,24,25)