5-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-pyrazol-3-one

Systemtic Name: 5-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-pyrazol-3-one Openeye Name: 5-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-pyrazol-3-one CAS Name: 5-(2-amino-3-propan-2-ylsulfonyl-5-benzimidazolyl)-4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-pyrazol-3-one IUPAC Name: 5-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-pyrazol-3-one Traditional Name: 5-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-4-(4-fluorophenyl)-2-(4-nitrophenyl)-3-pyrazolin-3-one Formula: C25H21FN6O5S MolecularWeight: 536.534843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C3=C(C(=O)N(N3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)F)N=C1N

Isomeric SMILES

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C3=C(C(=O)N(N3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)F)N=C1N

InChI

InChI=1S/C25H21FN6O5S/c1-14(2)38(36,37)31-21-13-16(5-12-20(21)28-25(31)27)23-22(15-3-6-17(26)7-4-15)24(33)30(29-23)18-8-10-19(11-9-18)32(34)35/h3-14,29H,1-2H3,(H2,27,28)