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

Systemtic Name: [2-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]carbonylphenyl]-phenyl-methanone Openeye Name: [2-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazole-1-carbonyl]phenyl]-phenyl-methanone CAS Name: [2-[[3,5-dimethyl-4-[(4-nitrophenyl)thio]-1-pyrazolyl]-oxomethyl]phenyl]-phenylmethanone IUPAC Name: [2-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazole-1-carbonyl]phenyl]-phenylmethanone Traditional Name: [2-[3,5-dimethyl-4-[(4-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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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