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

Systemtic Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H26N6OS MolecularWeight: 398.52504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NN=C(N2C)C3CC3)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NN=C(N2C)C3CC3)C4CCCC4)C

InChI

InChI=1S/C20H26N6OS/c1-12-13(2)26(15-6-4-5-7-15)19(16(12)10-21)22-17(27)11-28-20-24-23-18(25(20)3)14-8-9-14/h14-15H,4-9,11H2,1-3H3,(H,22,27)