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

Systemtic Name: 5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-1-[(E)-3-phenylprop-2-enoyl]pyrazol-3-one Openeye Name: 5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-1-[(E)-3-phenylprop-2-enoyl]pyrazol-3-one CAS Name: 5-methyl-4-[(2-nitrophenyl)thio]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-2-phenyl-3-pyrazolone IUPAC Name: 5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-1-[(E)-3-phenylprop-2-enoyl]pyrazol-3-one Traditional Name: 5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-1-[(E)-3-phenylacryloyl]-3-pyrazolin-3-one Formula: C25H19N3O4S MolecularWeight: 457.50106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19N3O4S/c1-18-24(33-22-15-9-8-14-21(22)28(31)32)25(30)27(20-12-6-3-7-13-20)26(18)23(29)17-16-19-10-4-2-5-11-19/h2-17H,1H3/b17-16+