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

Systemtic Name: 3-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C13H12N4OS/c14-7-9-2-1-3-10(6-9)8-19-13-16-15-12(18)17(13)11-4-5-11/h1-3,6,11H,4-5,8H2,(H,15,18)