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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-(3,4-dimethoxyphenyl)-5-phenyl-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)OC)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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