3-methyl-N-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]butanamide CAS Name: 3-methyl-N-[4-[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]butanamide Traditional Name: 3-methyl-N-[4-[2-[(5-phenyl-1H-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=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

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