(4-imidazol-1-yl-3-nitro-phenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

Systemtic Name: (4-imidazol-1-yl-3-nitro-phenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone Openeye Name: (4-imidazol-1-yl-3-nitro-phenyl)-[2-(3-thienyl)pyrrolidin-1-yl]methanone CAS Name: [4-(1-imidazolyl)-3-nitrophenyl]-[2-(3-thiophenyl)-1-pyrrolidinyl]methanone IUPAC Name: (4-imidazol-1-yl-3-nitrophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone Traditional Name: (4-imidazol-1-yl-3-nitro-phenyl)-[2-(3-thienyl)pyrrolidino]methanone Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])C4=CSC=C4

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])C4=CSC=C4

InChI

InChI=1S/C18H16N4O3S/c23-18(21-7-1-2-15(21)14-5-9-26-11-14)13-3-4-16(17(10-13)22(24)25)20-8-6-19-12-20/h3-6,8-12,15H,1-2,7H2