3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(3-methylbenzyl)thio]-1,2,4-triazole Formula: C27H29N3OS MolecularWeight: 443.60366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H29N3OS/c1-19-7-6-8-20(17-19)18-32-26-29-28-25(21-9-11-22(12-10-21)27(2,3)4)30(26)23-13-15-24(31-5)16-14-23/h6-17H,18H2,1-5H3