5-azanyl-1-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)triazole-4-carboxamide CAS Name: 5-amino-1-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)-4-triazolecarboxamide IUPAC Name: 5-amino-1-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)triazole-4-carboxamide Formula: C17H16BrN5O3 MolecularWeight: 418.24464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC=C(C=C3)Br)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC=C(C=C3)Br)N)OC

InChI

InChI=1S/C17H16BrN5O3/c1-25-13-8-5-11(9-14(13)26-2)20-17(24)15-16(19)23(22-21-15)12-6-3-10(18)4-7-12/h3-9H,19H2,1-2H3,(H,20,24)