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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=NN(C=C2Cl)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=NN(C=C2Cl)CC3=CC=CC=C3)Cl

InChI

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