N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(3-fluorophenyl)thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-(3-fluorophenyl)-2-thiazolyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(3-fluorophenyl)thiazol-2-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C20H17FN4O3S MolecularWeight: 412.437383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC(=CC=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC(=CC=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C20H17FN4O3S/c21-15-5-3-4-13(10-15)16-12-29-20(22-16)23-19(26)14-6-7-17(18(11-14)25(27)28)24-8-1-2-9-24/h3-7,10-12H,1-2,8-9H2,(H,22,23,26)