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

Systemtic Name: 3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Openeye Name: 3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile CAS Name: 3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]propanenitrile IUPAC Name: 3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: 3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]propionitrile Formula: C13H14N4S MolecularWeight: 258.34206

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC#N)C2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCCC#N)C2=CC=CC=C2

InChI

InChI=1S/C13H14N4S/c1-2-17-12(11-7-4-3-5-8-11)15-16-13(17)18-10-6-9-14/h3-5,7-8H,2,6,10H2,1H3