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

Systemtic Name: 4-[2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-oxidanyl-ethyl]benzenecarbonitrile Openeye Name: 4-[2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-1-hydroxy-ethyl]benzonitrile CAS Name: 4-[2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-1-hydroxyethyl]benzonitrile IUPAC Name: 4-[2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-1-hydroxyethyl]benzonitrile Traditional Name: 4-[2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-1-hydroxy-ethyl]benzonitrile Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O2S/c15-7-9-1-3-10(4-2-9)12(19)8-21-14-17-16-13(20)18(14)11-5-6-11/h1-4,11-12,19H,5-6,8H2,(H,16,20)