S-[(3-methyl-1,2,4-thiadiazol-5-yl)methyl] 2,2,4-trimethyl-4-phenyl-3H-quinoline-1-carbothioate

Systemtic Name: S-[(3-methyl-1,2,4-thiadiazol-5-yl)methyl] 2,2,4-trimethyl-4-phenyl-3H-quinoline-1-carbothioate Openeye Name: S-[(3-methyl-1,2,4-thiadiazol-5-yl)methyl] 2,2,4-trimethyl-4-phenyl-3H-quinoline-1-carbothioate CAS Name: 2,2,4-trimethyl-4-phenyl-3H-quinoline-1-carbothioic acid S-[(3-methyl-1,2,4-thiadiazol-5-yl)methyl] ester IUPAC Name: S-[(3-methyl-1,2,4-thiadiazol-5-yl)methyl] 2,2,4-trimethyl-4-phenyl-3H-quinoline-1-carbothioate Traditional Name: 2,2,4-trimethyl-4-phenyl-3H-quinoline-1-carbothioic acid S-[(3-methyl-1,2,4-thiadiazol-5-yl)methyl] ester Formula: C23H25N3OS2 MolecularWeight: 423.5941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=N1)CSC(=O)N2C3=CC=CC=C3C(CC2(C)C)(C)C4=CC=CC=C4

Isomeric SMILES

CC1=NSC(=N1)CSC(=O)N2C3=CC=CC=C3C(CC2(C)C)(C)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3OS2/c1-16-24-20(29-25-16)14-28-21(27)26-19-13-9-8-12-18(19)23(4,15-22(26,2)3)17-10-6-5-7-11-17/h5-13H,14-15H2,1-4H3