N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H20N6O3S MolecularWeight: 448.4976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20N6O3S/c1-14-12-20(27(25-14)22-23-16-6-2-3-7-19(16)32-22)24-21(29)15-8-9-17(18(13-15)28(30)31)26-10-4-5-11-26/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,24,29)