N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-2-phenyl-triazole-4-carboxamide CAS Name: N-[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-2-phenyltriazole-4-carboxamide Traditional Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-2-phenyl-triazole-4-carboxamide Formula: C17H13BrN6OS MolecularWeight: 429.29372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=CC(=N2)C(=O)NC3=CC=NN3CC4=CC(=CS4)Br

Isomeric SMILES

C1=CC=C(C=C1)N2N=CC(=N2)C(=O)NC3=CC=NN3CC4=CC(=CS4)Br

InChI

InChI=1S/C17H13BrN6OS/c18-12-8-14(26-11-12)10-23-16(6-7-19-23)21-17(25)15-9-20-24(22-15)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,21,25)