2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-mesityl-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:

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=CN2N3C=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=CN2N3C=CC=C3)C

InChI

InChI=1S/C17H19N5OS/c1-12-8-13(2)16(14(3)9-12)19-15(23)10-24-17-20-18-11-22(17)21-6-4-5-7-21/h4-9,11H,10H2,1-3H3,(H,19,23)