1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-(5-chloranyl-2-methoxy-phenyl)thiourea

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-(5-chloranyl-2-methoxy-phenyl)thiourea Openeye Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-(5-chloro-2-methoxy-phenyl)thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-4-pyrazolyl]-3-(5-chloro-2-methoxyphenyl)thiourea IUPAC Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-(5-chloro-2-methoxyphenyl)thiourea Traditional Name: 1-[1-(4-bromobenzyl)pyrazol-4-yl]-3-(5-chloro-2-methoxy-phenyl)thiourea Formula: C18H16BrClN4OS MolecularWeight: 451.76784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)Br

InChI

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