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

Systemtic Name: 1-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-3-(5-chloranyl-2-methoxy-phenyl)thiourea Openeye Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-(5-chloro-2-methoxy-phenyl)thiourea CAS Name: 1-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-3-(5-chloro-2-methoxyphenyl)thiourea IUPAC Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-(5-chloro-2-methoxyphenyl)thiourea Traditional Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-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=CC=CC(=C2)CN3C=C(C=N3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)NC2=CC=CC(=C2)CN3C=C(C=N3)Br

InChI

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