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

Systemtic Name: 3-methyl-N-[4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]phenyl]butanamide CAS Name: 3-methyl-N-[4-[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]phenyl]butanamide Traditional Name: 3-methyl-N-[4-[2-(1H-1,2,4-triazol-5-ylthio)acetyl]phenyl]butyramide Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=NN2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=NN2

InChI

InChI=1S/C15H18N4O2S/c1-10(2)7-14(21)18-12-5-3-11(4-6-12)13(20)8-22-15-16-9-17-19-15/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)(H,16,17,19)