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

Systemtic Name: 4-[2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzonitrile CAS Name: 4-[2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzonitrile Traditional Name: 4-[2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetyl]benzonitrile Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C14H12N4O2S/c15-7-9-1-3-10(4-2-9)12(19)8-21-14-17-16-13(20)18(14)11-5-6-11/h1-4,11H,5-6,8H2,(H,16,20)