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

Systemtic Name: 4-[5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-4-methyl-1,2,4-triazol-3-yl]pyridine Formula: C21H26N4S MolecularWeight: 366.52294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(N2C)C3=CC=NC=C3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(N2C)C3=CC=NC=C3)C)C(C)(C)C

InChI

InChI=1S/C21H26N4S/c1-14-11-17(21(3,4)5)12-15(2)18(14)13-26-20-24-23-19(25(20)6)16-7-9-22-10-8-16/h7-12H,13H2,1-6H3