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

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-3-pyrazolecarboxamide IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide Formula: C18H17N7O3S MolecularWeight: 411.43768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C=C3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C=C3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H17N7O3S/c1-10-4-5-13-15(8-10)29-18(19-13)20-17(26)14-6-7-23(22-14)9-24-12(3)16(25(27)28)11(2)21-24/h4-8H,9H2,1-3H3,(H,19,20,26)