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

Systemtic Name: 4-[4-(3,4-dimethylphenyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-(3,4-dimethylphenyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-(3,4-dimethylphenyl)-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-(3,4-dimethylphenyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-(3,4-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=C(C=C(C=C1)N2C(=NN=C2SCCOC3=CC=CC=C3)C4=CC=NC=C4)C

Isomeric SMILES

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

InChI

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