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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazole Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O2S/c1-27(2,3)21-11-9-19(10-12-21)18-33-26-29-28-25(20-7-6-8-24(17-20)32-5)30(26)22-13-15-23(31-4)16-14-22/h6-17H,18H2,1-5H3