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

Systemtic Name: 1-[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)thiourea Openeye Name: 1-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[4-bromo-1-[(4-chlorophenyl)methyl]-3-pyrazolyl]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[4-bromo-1-(4-chlorobenzyl)pyrazol-3-yl]-3-(4-methoxyphenyl)thiourea Formula: C18H16BrClN4OS MolecularWeight: 451.76784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NC2=NN(C=C2Br)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NC2=NN(C=C2Br)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16BrClN4OS/c1-25-15-8-6-14(7-9-15)21-18(26)22-17-16(19)11-24(23-17)10-12-2-4-13(20)5-3-12/h2-9,11H,10H2,1H3,(H2,21,22,23,26)