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

Systemtic Name: 3-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C17H15N5S MolecularWeight: 321.3995

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCCC#N)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCC#N)C3=CN=CC=C3

InChI

InChI=1S/C17H15N5S/c1-13-6-2-3-8-15(13)22-16(14-7-4-10-19-12-14)20-21-17(22)23-11-5-9-18/h2-4,6-8,10,12H,5,11H2,1H3