3-(5-chloranyl-2-methyl-phenyl)-1-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)thiourea

Systemtic Name: 3-(5-chloranyl-2-methyl-phenyl)-1-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)thiourea Openeye Name: 3-(5-chloro-2-methyl-phenyl)-1-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)thiourea CAS Name: 3-(5-chloro-2-methylphenyl)-1-ethyl-1-(1,3,5-trimethyl-4-pyrazolyl)thiourea IUPAC Name: 3-(5-chloro-2-methylphenyl)-1-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)thiourea Traditional Name: 3-(5-chloro-2-methyl-phenyl)-1-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)thiourea Formula: C16H21ClN4S MolecularWeight: 336.88274

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(N(N=C1C)C)C)C(=S)NC2=C(C=CC(=C2)Cl)C

Isomeric SMILES

CCN(C1=C(N(N=C1C)C)C)C(=S)NC2=C(C=CC(=C2)Cl)C

InChI

InChI=1S/C16H21ClN4S/c1-6-21(15-11(3)19-20(5)12(15)4)16(22)18-14-9-13(17)8-7-10(14)2/h7-9H,6H2,1-5H3,(H,18,22)