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

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

Isomeric SMILES

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

InChI

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