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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C(C(=N2)NC(=S)NC3=CC=CC=C3Cl)Br)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C(C(=N2)NC(=S)NC3=CC=CC=C3Cl)Br)Cl

InChI

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