[2-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]carbonylphenyl]-phenyl-methanone

Systemtic Name: [2-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]carbonylphenyl]-phenyl-methanone Openeye Name: [2-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazole-1-carbonyl]phenyl]-phenyl-methanone CAS Name: [2-[[3,5-dimethyl-4-[(2-nitrophenyl)thio]-1-pyrazolyl]-oxomethyl]phenyl]-phenylmethanone IUPAC Name: [2-[3,5-dimethyl-4-(2-nitrophenyl)sulfanylpyrazole-1-carbonyl]phenyl]-phenylmethanone Traditional Name: [2-[3,5-dimethyl-4-[(2-nitrophenyl)thio]pyrazole-1-carbonyl]phenyl]-phenyl-methanone Formula: C25H19N3O4S MolecularWeight: 457.50106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3)C)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3)C)SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O4S/c1-16-24(33-22-15-9-8-14-21(22)28(31)32)17(2)27(26-16)25(30)20-13-7-6-12-19(20)23(29)18-10-4-3-5-11-18/h3-15H,1-2H3