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

Systemtic Name: (3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone Openeye Name: (3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone CAS Name: [3,5-dimethyl-4-(phenylthio)-1-pyrazolyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: (3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [3,5-dimethyl-4-(phenylthio)pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C)SC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c1-13-20(28-16-9-7-6-8-10-16)14(2)23(22-13)21(24)15-11-17(25-3)19(27-5)18(12-15)26-4/h6-12H,1-5H3