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

Systemtic Name: 1-[4-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone Openeye Name: 1-[4-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]ethanone CAS Name: 1-[4-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone IUPAC Name: 1-[4-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone Traditional Name: 1-[4-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]ethanone Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O2S/c1-11(21)12-3-7-14(8-4-12)20-16(18-19-17(20)23)13-5-9-15(22-2)10-6-13/h3-10H,1-2H3,(H,19,23)