1-(5-chloranyl-2-methyl-phenyl)-3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea Openeye Name: 1-(5-chloro-2-methyl-phenyl)-3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea CAS Name: 1-(5-chloro-2-methylphenyl)-3-[1-[(4-chlorophenyl)methyl]-3-pyrazolyl]thiourea IUPAC Name: 1-(5-chloro-2-methylphenyl)-3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea Traditional Name: 1-[1-(4-chlorobenzyl)pyrazol-3-yl]-3-(5-chloro-2-methyl-phenyl)thiourea Formula: C18H16Cl2N4S MolecularWeight: 391.31744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16Cl2N4S/c1-12-2-5-15(20)10-16(12)21-18(25)22-17-8-9-24(23-17)11-13-3-6-14(19)7-4-13/h2-10H,11H2,1H3,(H2,21,22,23,25)