N-[4-(5-aminocarbonyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-(3-bromophenyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[4-(5-aminocarbonyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-(3-bromophenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-(3-bromophenyl)-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)thiazol-2-yl]triazole-4-carboxamide CAS Name: 1-(3-bromophenyl)-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-2-thiazolyl]-4-triazolecarboxamide IUPAC Name: 1-(3-bromophenyl)-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]triazole-4-carboxamide Traditional Name: 1-(3-bromophenyl)-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)thiazol-2-yl]triazole-4-carboxamide Formula: C17H12BrN7O2S MolecularWeight: 458.29188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)N2C=C(N=N2)C(=O)NC3=NC(=CS3)C4=CNC(=C4)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)Br)N2C=C(N=N2)C(=O)NC3=NC(=CS3)C4=CNC(=C4)C(=O)N

InChI

InChI=1S/C17H12BrN7O2S/c18-10-2-1-3-11(5-10)25-7-13(23-24-25)16(27)22-17-21-14(8-28-17)9-4-12(15(19)26)20-6-9/h1-8,20H,(H2,19,26)(H,21,22,27)