3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-methyl-2-phenyl-thiazol-5-yl)-4-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-methyl-2-phenyl-5-thiazolyl)-4-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-methyl-2-phenyl-thiazol-5-yl)-4-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C3=NNC(=S)N3C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C3=NNC(=S)N3C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C21H20N4O3S2/c1-12-18(30-20(22-12)13-8-6-5-7-9-13)19-23-24-21(29)25(19)14-10-15(26-2)17(28-4)16(11-14)27-3/h5-11H,1-4H3,(H,24,29)