5-azanyl-1-(4-bromophenyl)carbonyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-one

Systemtic Name: 5-azanyl-1-(4-bromophenyl)carbonyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-one Openeye Name: 5-amino-1-(4-bromobenzoyl)-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-one CAS Name: 5-amino-1-[(4-bromophenyl)-oxomethyl]-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolone IUPAC Name: 5-amino-1-(4-bromobenzoyl)-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-one Traditional Name: 5-amino-1-(4-bromobenzoyl)-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolin-3-one Formula: C22H15BrN4O4S MolecularWeight: 511.3479

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=C(N2C(=O)C3=CC=C(C=C3)Br)N)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=C(N2C(=O)C3=CC=C(C=C3)Br)N)SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H15BrN4O4S/c23-15-12-10-14(11-13-15)21(28)26-20(24)19(22(29)25(26)16-6-2-1-3-7-16)32-18-9-5-4-8-17(18)27(30)31/h1-13H,24H2