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

Systemtic Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NNC(=N2)C3CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NNC(=N2)C3CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C20H20N6OS/c1-12-13(2)26(15-6-4-3-5-7-15)19(16(12)10-21)22-17(27)11-28-20-23-18(24-25-20)14-8-9-14/h3-7,14H,8-9,11H2,1-2H3,(H,22,27)(H,23,24,25)