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

Systemtic Name: 1-(4-bromophenyl)-3-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]thiourea Openeye Name: 1-(1-benzyl-4-chloro-pyrazol-3-yl)-3-(4-bromophenyl)thiourea CAS Name: 1-(4-bromophenyl)-3-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]thiourea IUPAC Name: 1-(1-benzyl-4-chloropyrazol-3-yl)-3-(4-bromophenyl)thiourea Traditional Name: 1-(1-benzyl-4-chloro-pyrazol-3-yl)-3-(4-bromophenyl)thiourea Formula: C17H14BrClN4S MolecularWeight: 421.74186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)NC(=S)NC3=CC=C(C=C3)Br)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)NC(=S)NC3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C17H14BrClN4S/c18-13-6-8-14(9-7-13)20-17(24)21-16-15(19)11-23(22-16)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,20,21,22,24)