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

Systemtic Name: 3-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Openeye Name: 3-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile CAS Name: 3-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]propanenitrile IUPAC Name: 3-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: 3-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]propionitrile Formula: C8H12N4OS MolecularWeight: 212.27208

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCCC#N

Isomeric SMILES

CCCN1C(=O)NN=C1SCCC#N

InChI

InChI=1S/C8H12N4OS/c1-2-5-12-7(13)10-11-8(12)14-6-3-4-9/h2-3,5-6H2,1H3,(H,10,13)