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

Systemtic Name: [4-(4-bromophenyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(4-bromophenyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-[(4-bromophenyl)thio]-3,5-dimethyl-1-pyrazolyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-(4-bromophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-[(4-bromophenyl)thio]-3,5-dimethyl-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C21H21BrN2O4S MolecularWeight: 477.37144

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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=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O4S/c1-12-20(29-16-8-6-15(22)7-9-16)13(2)24(23-12)21(25)14-10-17(26-3)19(28-5)18(11-14)27-4/h6-11H,1-5H3