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

Systemtic Name: 4-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 4-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile CAS Name: 4-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: 4-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 4-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]butyronitrile Formula: C14H16N4OS MolecularWeight: 288.36804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCCC#N

InChI

InChI=1S/C14H16N4OS/c15-9-4-5-11-20-14-17-16-13(19)18(14)10-8-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8,10-11H2,(H,16,19)