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

Systemtic Name: 3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[(4-tert-butylphenyl)methylthio]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[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=CN=CC=C4

Isomeric SMILES

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

InChI

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