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

Systemtic Name: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(4-bromophenyl)thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-(4-bromophenyl)-2-thiazolyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(4-bromophenyl)thiazol-2-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C20H17BrN4O3S MolecularWeight: 473.34298

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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=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN4O3S/c21-15-6-3-13(4-7-15)16-12-29-20(22-16)23-19(26)14-5-8-17(18(11-14)25(27)28)24-9-1-2-10-24/h3-8,11-12H,1-2,9-10H2,(H,22,23,26)