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

Systemtic Name: 1-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-pyrazole-3-carboxamide Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O3S/c1-3-24-11-16(25(27)28)18(23-24)19(26)21-14-7-5-13(6-8-14)20-22-15-9-4-12(2)10-17(15)29-20/h4-11H,3H2,1-2H3,(H,21,26)