1-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-3-phenethyl-thiourea

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-3-phenethyl-thiourea Openeye Name: 1-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-3-phenethyl-thiourea CAS Name: 1-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-3-phenethylthiourea IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-phenethylthiourea Traditional Name: 1-[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]-3-phenethyl-thiourea Formula: C20H21ClN4S MolecularWeight: 384.92554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)Cl)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)Cl)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H21ClN4S/c1-15-13-19(24-25(15)14-17-7-9-18(21)10-8-17)23-20(26)22-12-11-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H2,22,23,24,26)