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

Systemtic Name: 2-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 2-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 2-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 2-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 2-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)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

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

InChI

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