N-(1,3-benzothiazol-2-yl)-3-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-[(4-bromo-3-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]benzamide Formula: C18H12BrN5O3S MolecularWeight: 458.28858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)CN4C=C(C(=N4)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)CN4C=C(C(=N4)[N+](=O)[O-])Br

InChI

InChI=1S/C18H12BrN5O3S/c19-13-10-23(22-16(13)24(26)27)9-11-4-3-5-12(8-11)17(25)21-18-20-14-6-1-2-7-15(14)28-18/h1-8,10H,9H2,(H,20,21,25)