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

Systemtic Name: 4-[4-(4-methylphenyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-(2-phenoxyethylsulfanyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-(4-methylphenyl)-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-(4-methylphenyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-(2-phenoxyethylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]pyridine Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4OS/c1-17-7-9-19(10-8-17)26-21(18-11-13-23-14-12-18)24-25-22(26)28-16-15-27-20-5-3-2-4-6-20/h2-14H,15-16H2,1H3