1-(4-methylphenyl)-2-(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)ethanone

Systemtic Name: 1-(4-methylphenyl)-2-(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)ethanone Openeye Name: 1-(p-tolyl)-2-[5-(4-pyridyl)-2-thioxo-1,3,4-oxadiazol-3-yl]ethanone CAS Name: 1-(4-methylphenyl)-2-(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)ethanone IUPAC Name: 1-(4-methylphenyl)-2-(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)ethanone Traditional Name: 1-(p-tolyl)-2-[5-(4-pyridyl)-2-thioxo-1,3,4-oxadiazol-3-yl]ethanone Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C(=S)OC(=N2)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C(=S)OC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C16H13N3O2S/c1-11-2-4-12(5-3-11)14(20)10-19-16(22)21-15(18-19)13-6-8-17-9-7-13/h2-9H,10H2,1H3