N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1,4-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1,4-dimethyl-pyrazole-3-carboxamide Openeye Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1,4-dimethyl-pyrazole-3-carboxamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1,4-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1,4-dimethylpyrazole-3-carboxamide Traditional Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1,4-dimethyl-pyrazole-3-carboxamide Formula: C14H13N5O4S MolecularWeight: 347.34912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1C(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=CN(N=C1C(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC)C

InChI

InChI=1S/C14H13N5O4S/c1-7-6-18(2)17-11(7)13(20)16-14-15-12-9(23-3)4-8(19(21)22)5-10(12)24-14/h4-6H,1-3H3,(H,15,16,20)