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

Systemtic Name: 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanenitrile Openeye Name: 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanenitrile CAS Name: 3-[(4-methyl-1,2,4-triazol-3-yl)thio]pentanenitrile IUPAC Name: 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanenitrile Traditional Name: 3-[(4-methyl-1,2,4-triazol-3-yl)thio]valeronitrile Formula: C8H12N4S MolecularWeight: 196.27268

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)SC1=NN=CN1C

Isomeric SMILES

CCC(CC#N)SC1=NN=CN1C

InChI

InChI=1S/C8H12N4S/c1-3-7(4-5-9)13-8-11-10-6-12(8)2/h6-7H,3-4H2,1-2H3