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

Systemtic Name: 3-[5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine Formula: C23H28N4S MolecularWeight: 392.56022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(N2C3CC3)C4=CN=CC=C4)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(N2C3CC3)C4=CN=CC=C4)C)C(C)(C)C

InChI

InChI=1S/C23H28N4S/c1-15-11-18(23(3,4)5)12-16(2)20(15)14-28-22-26-25-21(27(22)19-8-9-19)17-7-6-10-24-13-17/h6-7,10-13,19H,8-9,14H2,1-5H3