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

Systemtic Name: 4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile CAS Name: 4-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: 4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 4-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]butyronitrile Formula: C9H14N4S MolecularWeight: 210.29926

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCCCC#N

Isomeric SMILES

CCCC1=NC(=NN1)SCCCC#N

InChI

InChI=1S/C9H14N4S/c1-2-5-8-11-9(13-12-8)14-7-4-3-6-10/h2-5,7H2,1H3,(H,11,12,13)