(3-methyl-5-phenyl-4-phenylsulfanyl-pyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: (3-methyl-5-phenyl-4-phenylsulfanyl-pyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone Openeye Name: (3-methyl-5-phenyl-4-phenylsulfanyl-pyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone CAS Name: [3-methyl-5-phenyl-4-(phenylthio)-1-pyrazolyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: (3-methyl-5-phenyl-4-phenylsulfanylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [3-methyl-5-phenyl-4-(phenylthio)pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C26H24N2O4S/c1-17-25(33-20-13-9-6-10-14-20)23(18-11-7-5-8-12-18)28(27-17)26(29)19-15-21(30-2)24(32-4)22(16-19)31-3/h5-16H,1-4H3