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

Systemtic Name: N-[4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]phenyl]butanamide Openeye Name: N-[4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]phenyl]butanamide CAS Name: N-[4-[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]phenyl]butanamide IUPAC Name: N-[4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]phenyl]butanamide Traditional Name: N-[4-[2-(1H-1,2,4-triazol-5-ylthio)acetyl]phenyl]butyramide Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O2S/c1-2-3-13(20)17-11-6-4-10(5-7-11)12(19)8-21-14-15-9-16-18-14/h4-7,9H,2-3,8H2,1H3,(H,17,20)(H,15,16,18)