N-[4-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]phenyl]ethanamide

Systemtic Name: N-[4-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]phenyl]ethanamide Openeye Name: N-[4-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide CAS Name: N-[4-[3-(phenylmethylthio)-1H-1,2,4-triazol-5-yl]phenyl]acetamide IUPAC Name: N-[4-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide Traditional Name: N-[4-[3-(benzylthio)-1H-1,2,4-triazol-5-yl]phenyl]acetamide Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC=C3

InChI

InChI=1S/C17H16N4OS/c1-12(22)18-15-9-7-14(8-10-15)16-19-17(21-20-16)23-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,22)(H,19,20,21)