3-[(4-chlorophenyl)methyl]-1-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea

Systemtic Name: 3-[(4-chlorophenyl)methyl]-1-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea Openeye Name: 3-[(4-chlorophenyl)methyl]-1-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea CAS Name: 3-[(4-chlorophenyl)methyl]-1-methyl-1-[(1,3,5-trimethyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 3-[(4-chlorophenyl)methyl]-1-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea Traditional Name: 3-(4-chlorobenzyl)-1-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea Formula: C16H21ClN4S MolecularWeight: 336.88274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CN(C)C(=S)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C(=NN1C)C)CN(C)C(=S)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H21ClN4S/c1-11-15(12(2)21(4)19-11)10-20(3)16(22)18-9-13-5-7-14(17)8-6-13/h5-8H,9-10H2,1-4H3,(H,18,22)