1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(4-sulfamoylphenyl)thiourea

Systemtic Name: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(4-sulfamoylphenyl)thiourea Openeye Name: 1-[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]-3-(4-sulfamoylphenyl)thiourea CAS Name: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]-3-(4-sulfamoylphenyl)thiourea IUPAC Name: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(4-sulfamoylphenyl)thiourea Traditional Name: 1-[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]-3-(4-sulfamoylphenyl)thiourea Formula: C20H23N5O2S2 MolecularWeight: 429.55892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C20H23N5O2S2/c1-13-6-4-5-7-16(13)12-25-15(3)19(14(2)24-25)23-20(28)22-17-8-10-18(11-9-17)29(21,26)27/h4-11H,12H2,1-3H3,(H2,21,26,27)(H2,22,23,28)