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

Systemtic Name: [3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [3,5-dimethyl-4-[(2-nitrophenyl)thio]-1-pyrazolyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [3,5-dimethyl-4-(2-nitrophenyl)sulfanylpyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [3,5-dimethyl-4-[(2-nitrophenyl)thio]pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C21H21N3O6S MolecularWeight: 443.47294

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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[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C)SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6S/c1-12-20(31-18-9-7-6-8-15(18)24(26)27)13(2)23(22-12)21(25)14-10-16(28-3)19(30-5)17(11-14)29-4/h6-11H,1-5H3