S-tert-butyl 1-(2,4-dimethylphenyl)-2-methyl-4-phenyl-4H-pyridine-3-carbothioate

Systemtic Name: S-tert-butyl 1-(2,4-dimethylphenyl)-2-methyl-4-phenyl-4H-pyridine-3-carbothioate Openeye Name: S-tert-butyl 1-(2,4-dimethylphenyl)-2-methyl-4-phenyl-4H-pyridine-3-carbothioate CAS Name: 1-(2,4-dimethylphenyl)-2-methyl-4-phenyl-4H-pyridine-3-carbothioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 1-(2,4-dimethylphenyl)-2-methyl-4-phenyl-4H-pyridine-3-carbothioate Traditional Name: 1-(2,4-dimethylphenyl)-2-methyl-4-phenyl-4H-pyridine-3-carbothioic acid S-tert-butyl ester Formula: C25H29NOS MolecularWeight: 391.56886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CC(C(=C2C)C(=O)SC(C)(C)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CC(C(=C2C)C(=O)SC(C)(C)C)C3=CC=CC=C3)C

InChI

InChI=1S/C25H29NOS/c1-17-12-13-22(18(2)16-17)26-15-14-21(20-10-8-7-9-11-20)23(19(26)3)24(27)28-25(4,5)6/h7-16,21H,1-6H3