1-[4-[3-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone

Systemtic Name: 1-[4-[3-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone Openeye Name: 1-[4-(3-benzyl-5-thioxo-1H-1,2,4-triazol-4-yl)phenyl]ethanone CAS Name: 1-[4-[3-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone IUPAC Name: 1-[4-(3-benzyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanone Traditional Name: 1-[4-(3-benzyl-5-thioxo-1H-1,2,4-triazol-4-yl)phenyl]ethanone Formula: C17H15N3OS MolecularWeight: 309.3855

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)CC3=CC=CC=C3

InChI

InChI=1S/C17H15N3OS/c1-12(21)14-7-9-15(10-8-14)20-16(18-19-17(20)22)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,22)