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

Systemtic Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetonitrile CAS Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetonitrile IUPAC Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetonitrile Formula: C7H10N4S MolecularWeight: 182.2461

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC#N

Isomeric SMILES

CCCC1=NC(=NN1)SCC#N

InChI

InChI=1S/C7H10N4S/c1-2-3-6-9-7(11-10-6)12-5-4-8/h2-3,5H2,1H3,(H,9,10,11)