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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=NN=C2SCCC#N)C3=CN=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=NN=C2SCCC#N)C3=CN=CC=C3)Cl

InChI

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