N-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[4-[(1,3-benzothiazol-2-ylamino)-oxomethyl]phenyl]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C19H14N6O4S MolecularWeight: 422.41726

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C19H14N6O4S/c1-24-10-14(25(28)29)16(23-24)18(27)20-12-8-6-11(7-9-12)17(26)22-19-21-13-4-2-3-5-15(13)30-19/h2-10H,1H3,(H,20,27)(H,21,22,26)