N-[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]-4-bromanyl-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]-4-bromanyl-1-methyl-pyrazole-3-carboxamide Openeye Name: N-(5-benzyl-3-carbamoyl-2-thienyl)-4-bromo-1-methyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[3-carbamoyl-5-(phenylmethyl)-2-thiophenyl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-(5-benzyl-3-carbamoylthiophen-2-yl)-4-bromo-1-methylpyrazole-3-carboxamide Traditional Name: N-(5-benzyl-3-carbamoyl-2-thienyl)-4-bromo-1-methyl-pyrazole-3-carboxamide Formula: C17H15BrN4O2S MolecularWeight: 419.2956

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)N)Br

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)N)Br

InChI

InChI=1S/C17H15BrN4O2S/c1-22-9-13(18)14(21-22)16(24)20-17-12(15(19)23)8-11(25-17)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H2,19,23)(H,20,24)