4-chloranyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-chloranyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-3-nitro-1H-pyrazole-5-carboxamide Formula: C12H8ClN5O3S MolecularWeight: 337.74162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H8ClN5O3S/c1-5-2-3-6-7(4-5)22-12(14-6)15-11(19)9-8(13)10(17-16-9)18(20)21/h2-4H,1H3,(H,16,17)(H,14,15,19)