N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide Formula: C18H12N6O5S MolecularWeight: 424.39008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=CC(=N2)[N+](=O)[O-])C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=CC(=N2)[N+](=O)[O-])C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N6O5S/c25-17(20-18-19-14-6-5-13(23(26)27)9-15(14)30-18)12-3-1-11(2-4-12)10-22-8-7-16(21-22)24(28)29/h1-9H,10H2,(H,19,20,25)