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

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)-3-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiourea Openeye Name: 1-(4-bromo-2-chloro-phenyl)-3-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiourea CAS Name: 1-(4-bromo-2-chlorophenyl)-3-[1-[(2-chlorophenyl)methyl]-3-pyrazolyl]thiourea IUPAC Name: 1-(4-bromo-2-chlorophenyl)-3-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiourea Traditional Name: 1-(4-bromo-2-chloro-phenyl)-3-[1-(2-chlorobenzyl)pyrazol-3-yl]thiourea Formula: C17H13BrCl2N4S MolecularWeight: 456.18692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrCl2N4S/c18-12-5-6-15(14(20)9-12)21-17(25)22-16-7-8-24(23-16)10-11-3-1-2-4-13(11)19/h1-9H,10H2,(H2,21,22,23,25)