2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-4,6-dimethyl-nicotinonitrile Formula: C22H16ClN5S MolecularWeight: 417.91394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C

InChI

InChI=1S/C22H16ClN5S/c1-14-12-15(2)25-21(19(14)13-24)29-22-27-26-20(16-6-4-3-5-7-16)28(22)18-10-8-17(23)9-11-18/h3-12H,1-2H3