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

Systemtic Name: 3-[[4-(3-chloranyl-2-methyl-phenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C17H14ClN5S MolecularWeight: 355.84456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=NN=C2SCCC#N)C3=CC=NC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=NN=C2SCCC#N)C3=CC=NC=C3

InChI

InChI=1S/C17H14ClN5S/c1-12-14(18)4-2-5-15(12)23-16(13-6-9-20-10-7-13)21-22-17(23)24-11-3-8-19/h2,4-7,9-10H,3,11H2,1H3