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

Systemtic Name: 2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetonitrile CAS Name: 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetonitrile IUPAC Name: 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetonitrile Formula: C7H10N4OS MolecularWeight: 198.2455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC#N

Isomeric SMILES

CCCN1C(=O)NN=C1SCC#N

InChI

InChI=1S/C7H10N4OS/c1-2-4-11-6(12)9-10-7(11)13-5-3-8/h2,4-5H2,1H3,(H,9,12)