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

Systemtic Name: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine CAS Name: 2-[5-[(4-tert-butylphenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 2-[5-[(4-tert-butylbenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]pyridine Formula: C24H24N4S MolecularWeight: 400.53916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4S/c1-24(2,3)19-14-12-18(13-15-19)17-29-23-27-26-22(21-11-7-8-16-25-21)28(23)20-9-5-4-6-10-20/h4-16H,17H2,1-3H3