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

Systemtic Name: 3-[4-(2,4-dimethylphenyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-(2,4-dimethylphenyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(2,4-dimethylphenyl)-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(2,4-dimethylphenyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-(2,4-dimethylphenyl)-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]pyridine Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=C2SCCOC3=CC=CC=C3)C4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=C2SCCOC3=CC=CC=C3)C4=CN=CC=C4)C

InChI

InChI=1S/C23H22N4OS/c1-17-10-11-21(18(2)15-17)27-22(19-7-6-12-24-16-19)25-26-23(27)29-14-13-28-20-8-4-3-5-9-20/h3-12,15-16H,13-14H2,1-2H3