N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxy-benzamide Openeye Name: N-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxy-benzamide CAS Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxybenzamide IUPAC Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxybenzamide Traditional Name: N-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxy-benzamide Formula: C18H17BrN4O3S MolecularWeight: 449.32158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C18H17BrN4O3S/c1-25-14-7-11(8-15(9-14)26-2)17(24)20-10-16-21-22-18(27)23(16)13-5-3-12(19)4-6-13/h3-9H,10H2,1-2H3,(H,20,24)(H,22,27)