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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NC2=NN(C=C2Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NC2=NN(C=C2Cl)CC3=CC=CC=C3

InChI

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