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

Systemtic Name: 1-[(3-chlorophenyl)methyl]-3-(1,3-dimethylpyrazol-4-yl)thiourea Openeye Name: 1-[(3-chlorophenyl)methyl]-3-(1,3-dimethylpyrazol-4-yl)thiourea CAS Name: 1-[(3-chlorophenyl)methyl]-3-(1,3-dimethyl-4-pyrazolyl)thiourea IUPAC Name: 1-[(3-chlorophenyl)methyl]-3-(1,3-dimethylpyrazol-4-yl)thiourea Traditional Name: 1-(3-chlorobenzyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea Formula: C13H15ClN4S MolecularWeight: 294.803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1NC(=S)NCC2=CC(=CC=C2)Cl)C

Isomeric SMILES

CC1=NN(C=C1NC(=S)NCC2=CC(=CC=C2)Cl)C

InChI

InChI=1S/C13H15ClN4S/c1-9-12(8-18(2)17-9)16-13(19)15-7-10-4-3-5-11(14)6-10/h3-6,8H,7H2,1-2H3,(H2,15,16,19)