2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC#N

Isomeric SMILES

CC(C)N1C=NN=C1SCC#N

InChI

InChI=1S/C7H10N4S/c1-6(2)11-5-9-10-7(11)12-4-3-8/h5-6H,4H2,1-2H3