1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[1-(1,3-dimethyl-4-pyrazolyl)ethyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C18H21N7O2S2 MolecularWeight: 431.53504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(C)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C

Isomeric SMILES

CC1=NN(C=C1C(C)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C

InChI

InChI=1S/C18H21N7O2S2/c1-12(16-11-25(3)23-13(16)2)21-18(28)22-14-5-7-15(8-6-14)29(26,27)24-17-19-9-4-10-20-17/h4-12H,1-3H3,(H,19,20,24)(H2,21,22,28)