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

Systemtic Name: 3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Openeye Name: 3-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanenitrile IUPAC Name: 3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: 3-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C16H13N5S MolecularWeight: 307.37292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCC#N)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCC#N)C3=CC=NC=C3

InChI

InChI=1S/C16H13N5S/c17-9-4-12-22-16-20-19-15(13-7-10-18-11-8-13)21(16)14-5-2-1-3-6-14/h1-3,5-8,10-11H,4,12H2