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

Systemtic Name: 4-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 4-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile CAS Name: 4-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: 4-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 4-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]butyronitrile Formula: C9H14N4OS MolecularWeight: 226.29866

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCCCC#N

Isomeric SMILES

CCCN1C(=O)NN=C1SCCCC#N

InChI

InChI=1S/C9H14N4OS/c1-2-6-13-8(14)11-12-9(13)15-7-4-3-5-10/h2-4,6-7H2,1H3,(H,11,14)