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

Systemtic Name: (2R)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: (2R)-2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: (2R)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: (2R)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: (2R)-2-[[4-(p-tolyl)-5-(4-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=C(C=C1)N2C(=NN=C2SC(C)C#N)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2S[C@H](C)C#N)C3=CC=NC=C3

InChI

InChI=1S/C17H15N5S/c1-12-3-5-15(6-4-12)22-16(14-7-9-19-10-8-14)20-21-17(22)23-13(2)11-18/h3-10,13H,1-2H3/t13-/m1/s1