N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-5-nitro-thiophene-2-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-5-nitrothiophene-2-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-5-nitro-thiophene-2-carboxamide Formula: C16H11N5O3S2 MolecularWeight: 385.42024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC=C(S2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC=C(S2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H11N5O3S2/c1-9-8-13(18-15(22)12-6-7-14(25-12)21(23)24)20(19-9)16-17-10-4-2-3-5-11(10)26-16/h2-8H,1H3,(H,18,22)