3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine

Systemtic Name: 3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine Openeye Name: 3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine CAS Name: 3-[[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]pyridine IUPAC Name: 3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine Traditional Name: 3-[[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]pyridine Formula: C22H20N4S MolecularWeight: 372.486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CN=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CN=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H20N4S/c1-16-10-11-20(13-17(16)2)26-21(19-8-4-3-5-9-19)24-25-22(26)27-15-18-7-6-12-23-14-18/h3-14H,15H2,1-2H3