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

Systemtic Name: 4-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C13H14N4OS MolecularWeight: 274.34146

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H14N4OS/c1-2-7-17-12(18)15-16-13(17)19-9-11-5-3-10(8-14)4-6-11/h3-6H,2,7,9H2,1H3,(H,15,18)