4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile

Systemtic Name: 4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile CAS Name: 4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: 4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]butyronitrile Formula: C10H16N4S MolecularWeight: 224.32584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCCCC#N

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCCCC#N

InChI

InChI=1S/C10H16N4S/c1-10(2,3)8-12-9(14-13-8)15-7-5-4-6-11/h4-5,7H2,1-3H3,(H,12,13,14)