2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 2-[5-[(4-tert-butylphenyl)methylthio]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 2-[5-[(4-tert-butylbenzyl)thio]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine Formula: C25H26N4OS MolecularWeight: 430.56514

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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=N4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=CC=N4

InChI

InChI=1S/C25H26N4OS/c1-25(2,3)19-10-8-18(9-11-19)17-31-24-28-27-23(22-7-5-6-16-26-22)29(24)20-12-14-21(30-4)15-13-20/h5-16H,17H2,1-4H3