4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O4S/c1-12-19(26(28)29)13(2)25(24-12)11-14-4-6-15(7-5-14)20(27)23-21-22-17-9-8-16(30-3)10-18(17)31-21/h4-10H,11H2,1-3H3,(H,22,23,27)