N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-2-methyl-pyrazole-3-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-5-nitrophenyl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-methylpyrazole-3-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-5-nitro-phenyl]-2-methyl-pyrazole-3-carboxamide Formula: C18H13N5O3S2 MolecularWeight: 411.45752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)NC2=CC(=CC(=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CC=N1)C(=O)NC2=CC(=CC(=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O3S2/c1-22-15(6-7-19-22)17(24)20-11-8-12(23(25)26)10-13(9-11)27-18-21-14-4-2-3-5-16(14)28-18/h2-10H,1H3,(H,20,24)