N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-1-ethyl-benzotriazole-5-carboxamide

Systemtic Name: N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-1-ethyl-benzotriazole-5-carboxamide Openeye Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-1-ethyl-benzotriazole-5-carboxamide CAS Name: N-[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]-1-ethyl-5-benzotriazolecarboxamide IUPAC Name: N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-1-ethylbenzotriazole-5-carboxamide Traditional Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-1-ethyl-benzotriazole-5-carboxamide Formula: C17H15BrN6OS MolecularWeight: 431.3096

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3=CC=NN3CC4=CC(=CS4)Br)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC3=CC=NN3CC4=CC(=CS4)Br)N=N1

InChI

InChI=1S/C17H15BrN6OS/c1-2-23-15-4-3-11(7-14(15)21-22-23)17(25)20-16-5-6-19-24(16)9-13-8-12(18)10-26-13/h3-8,10H,2,9H2,1H3,(H,20,25)