4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]butyronitrile Formula: C7H10N4S MolecularWeight: 182.2461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCCCC#N

Isomeric SMILES

CN1C=NN=C1SCCCC#N

InChI

InChI=1S/C7H10N4S/c1-11-6-9-10-7(11)12-5-3-2-4-8/h6H,2-3,5H2,1H3