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

Systemtic Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-[(4-isopropyl-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=NN=CN2C(C)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NN=CN2C(C)C)C3=CC=CC=C3)C

InChI

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