3-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile

Systemtic Name: 3-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Openeye Name: 3-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile CAS Name: 3-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanenitrile IUPAC Name: 3-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: 3-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propionitrile Formula: C13H14N4OS MolecularWeight: 274.34146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCC#N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCC#N

InChI

InChI=1S/C13H14N4OS/c14-8-4-10-19-13-16-15-12(18)17(13)9-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7,9-10H2,(H,15,18)