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

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=CC=C3CN4C(=C(C(=N4)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=CC=C3CN4C(=C(C(=N4)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H19N5O3S/c1-12-7-6-10-17-18(12)22-21(30-17)23-20(27)16-9-5-4-8-15(16)11-25-14(3)19(26(28)29)13(2)24-25/h4-10H,11H2,1-3H3,(H,22,23,27)