3-methyl-N-[4-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]butanamide CAS Name: 3-methyl-N-[4-[1-oxo-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]butanamide Traditional Name: 3-methyl-N-[4-[2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]phenyl]butyramide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-15(2)12-20(27)23-17-10-8-16(9-11-17)19(26)13-28-21-24-22-14-25(21)18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3,(H,23,27)