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

Systemtic Name: 3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[(4-tert-butylphenyl)methylthio]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-[(4-tert-butylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]pyridine Formula: C25H26N4S MolecularWeight: 414.56574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(C)(C)C)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(C)(C)C)C4=CN=CC=C4

InChI

InChI=1S/C25H26N4S/c1-18-7-13-22(14-8-18)29-23(20-6-5-15-26-16-20)27-28-24(29)30-17-19-9-11-21(12-10-19)25(2,3)4/h5-16H,17H2,1-4H3