N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-3-methyl-2-nitro-benzamide

Systemtic Name: N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-3-methyl-2-nitro-benzamide Openeye Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-3-methyl-2-nitro-benzamide CAS Name: N-[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]-3-methyl-2-nitrobenzamide IUPAC Name: N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-3-methyl-2-nitrobenzamide Traditional Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-3-methyl-2-nitro-benzamide Formula: C16H13BrN4O3S MolecularWeight: 421.26842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=CC=NN2CC3=CC(=CS3)Br

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=CC=NN2CC3=CC(=CS3)Br

InChI

InChI=1S/C16H13BrN4O3S/c1-10-3-2-4-13(15(10)21(23)24)16(22)19-14-5-6-18-20(14)8-12-7-11(17)9-25-12/h2-7,9H,8H2,1H3,(H,19,22)