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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)NC(=S)NCC3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)NC(=S)NCC3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H16Cl2N4S/c19-15-8-6-13(7-9-15)10-21-18(25)22-17-16(20)12-24(23-17)11-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H2,21,22,23,25)