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

Systemtic Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)acetamide CAS Name: N-(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)acetamide Formula: C26H30N6OS MolecularWeight: 474.621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NN=C(N2CC=C)C3CCCCC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NN=C(N2CC=C)C3CCCCC3)C4=CC=CC=C4)C

InChI

InChI=1S/C26H30N6OS/c1-4-15-31-24(20-11-7-5-8-12-20)29-30-26(31)34-17-23(33)28-25-22(16-27)18(2)19(3)32(25)21-13-9-6-10-14-21/h4,6,9-10,13-14,20H,1,5,7-8,11-12,15,17H2,2-3H3,(H,28,33)