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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C15H12N8O3S MolecularWeight: 384.37258

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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=NC(=N4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H12N8O3S/c1-9-2-3-10-12(6-9)27-15(17-10)18-13(24)11-4-5-21(19-11)8-22-7-16-14(20-22)23(25)26/h2-7H,8H2,1H3,(H,17,18,24)