3-(4-tert-butylphenyl)-4-(2-methylphenyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-(2-methylphenyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-(o-tolyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(2-methylphenyl)-5-(2-phenoxyethylthio)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(2-methylphenyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-(o-tolyl)-5-(2-phenoxyethylthio)-1,2,4-triazole Formula: C27H29N3OS MolecularWeight: 443.60366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCCOC3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCOC3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H29N3OS/c1-20-10-8-9-13-24(20)30-25(21-14-16-22(17-15-21)27(2,3)4)28-29-26(30)32-19-18-31-23-11-6-5-7-12-23/h5-17H,18-19H2,1-4H3