3-(4-methoxyphenyl)-5-(2-phenoxyethylsulfanyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole

Systemtic Name: 3-(4-methoxyphenyl)-5-(2-phenoxyethylsulfanyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole Openeye Name: 4-(2-isopropylphenyl)-3-(4-methoxyphenyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-methoxyphenyl)-5-(2-phenoxyethylthio)-4-(2-propan-2-ylphenyl)-1,2,4-triazole IUPAC Name: 3-(4-methoxyphenyl)-5-(2-phenoxyethylsulfanyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole Traditional Name: 3-(4-methoxyphenyl)-4-o-cumenyl-5-(2-phenoxyethylthio)-1,2,4-triazole Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCCOC3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCCOC3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H27N3O2S/c1-19(2)23-11-7-8-12-24(23)29-25(20-13-15-21(30-3)16-14-20)27-28-26(29)32-18-17-31-22-9-5-4-6-10-22/h4-16,19H,17-18H2,1-3H3