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

Systemtic Name: (2R)-2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: (2R)-2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: (2R)-2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: (2R)-2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: (2R)-2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C18H17N5S MolecularWeight: 335.42608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SC(C)C#N)C3=CC=NC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2S[C@H](C)C#N)C3=CC=NC=C3

InChI

InChI=1S/C18H17N5S/c1-3-14-4-6-16(7-5-14)23-17(15-8-10-20-11-9-15)21-22-18(23)24-13(2)12-19/h4-11,13H,3H2,1-2H3/t13-/m1/s1