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

Systemtic Name: 4-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C14H16N4OS MolecularWeight: 288.36804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H16N4OS/c1-2-3-8-18-13(19)16-17-14(18)20-10-12-6-4-11(9-15)5-7-12/h4-7H,2-3,8,10H2,1H3,(H,16,19)