1-(2-ethyl-6-methyl-phenyl)-3-[(1-phenylpyrazol-4-yl)carbonylamino]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(1-phenylpyrazol-4-yl)carbonylamino]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[oxo-(1-phenyl-4-pyrazolyl)methyl]amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CN(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CN(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H21N5OS/c1-3-15-9-7-8-14(2)18(15)22-20(27)24-23-19(26)16-12-21-25(13-16)17-10-5-4-6-11-17/h4-13H,3H2,1-2H3,(H,23,26)(H2,22,24,27)