5-methyl-1-[3-(3-nitrophenyl)prop-2-enoyl]-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-one

Systemtic Name: 5-methyl-1-[3-(3-nitrophenyl)prop-2-enoyl]-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-one Openeye Name: 5-methyl-1-[3-(3-nitrophenyl)prop-2-enoyl]-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-one CAS Name: 5-methyl-1-[3-(3-nitrophenyl)-1-oxoprop-2-enyl]-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolone IUPAC Name: 5-methyl-1-[3-(3-nitrophenyl)prop-2-enoyl]-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-one Traditional Name: 5-methyl-1-[3-(3-nitrophenyl)acryloyl]-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolin-3-one Formula: C25H18N4O6S MolecularWeight: 502.49862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H18N4O6S/c1-17-24(36-22-13-6-5-12-21(22)29(34)35)25(31)27(19-9-3-2-4-10-19)26(17)23(30)15-14-18-8-7-11-20(16-18)28(32)33/h2-16H,1H3