3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile

Systemtic Name: 3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Openeye Name: 3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile CAS Name: 3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propanenitrile IUPAC Name: 3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: 3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propionitrile Formula: C12H12N4S MolecularWeight: 244.31548

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC#N)C2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1SCCC#N)C2=CC=CC=C2

InChI

InChI=1S/C12H12N4S/c1-16-11(10-6-3-2-4-7-10)14-15-12(16)17-9-5-8-13/h2-4,6-7H,5,9H2,1H3