N-(3-aminocarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-bromanyl-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-(3-aminocarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-bromanyl-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-nitro-1H-pyrazole-5-carboxamide Formula: C14H14BrN5O4S MolecularWeight: 428.26106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

InChI

InChI=1S/C14H14BrN5O4S/c15-9-10(18-19-12(9)20(23)24)13(22)17-14-8(11(16)21)6-4-2-1-3-5-7(6)25-14/h1-5H2,(H2,16,21)(H,17,22)(H,18,19)