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

Systemtic Name: 4-(2-bromanyl-4-methyl-phenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2-bromo-4-methyl-phenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-bromo-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2-bromo-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2-bromo-4-methyl-phenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NNC2=S)C3=CC(=C(C(=C3)OC)OC)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NNC2=S)C3=CC(=C(C(=C3)OC)OC)OC)Br

InChI

InChI=1S/C18H18BrN3O3S/c1-10-5-6-13(12(19)7-10)22-17(20-21-18(22)26)11-8-14(23-2)16(25-4)15(9-11)24-3/h5-9H,1-4H3,(H,21,26)