4-[2-[(5-oxidanylidene-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-[(5-oxidanylidene-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-[[5-oxo-4-(3-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzonitrile CAS Name: 4-[1-oxo-2-[[5-oxo-4-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]thio]ethyl]benzonitrile IUPAC Name: 4-[2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzonitrile Traditional Name: 4-[2-[[5-keto-4-(3-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]benzonitrile Formula: C16H11N5O2S MolecularWeight: 337.35584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)N2C(=O)NN=C2SCC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=CN=C1)N2C(=O)NN=C2SCC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H11N5O2S/c17-8-11-3-5-12(6-4-11)14(22)10-24-16-20-19-15(23)21(16)13-2-1-7-18-9-13/h1-7,9H,10H2,(H,19,23)