3-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile

Systemtic Name: 3-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Openeye Name: 3-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile CAS Name: 3-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]propanenitrile IUPAC Name: 3-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: 3-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]propionitrile Formula: C8H12N4S MolecularWeight: 196.27268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N4S/c1-6(2)7-10-8(12-11-7)13-5-3-4-9/h6H,3,5H2,1-2H3,(H,10,11,12)