N-(4-propan-2-ylphenyl)-2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-propan-2-ylphenyl)-2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-isopropylphenyl)-2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-propan-2-ylphenyl)-2-[[4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-propan-2-ylphenyl)-2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-p-cumenyl-2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H19N5OS MolecularWeight: 341.43066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=CN2N3C=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=CN2N3C=CC=C3

InChI

InChI=1S/C17H19N5OS/c1-13(2)14-5-7-15(8-6-14)19-16(23)11-24-17-20-18-12-22(17)21-9-3-4-10-21/h3-10,12-13H,11H2,1-2H3,(H,19,23)