4-[5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]pyridine Formula: C26H28N4S MolecularWeight: 428.59232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4)C)C(C)(C)C

InChI

InChI=1S/C26H28N4S/c1-18-15-21(26(3,4)5)16-19(2)23(18)17-31-25-29-28-24(20-11-13-27-14-12-20)30(25)22-9-7-6-8-10-22/h6-16H,17H2,1-5H3