1-[2-(2-chloranyl-3-ethoxy-6-fluoranyl-phenyl)ethyl]-3-(5-iodanylpyridin-2-yl)thiourea

Systemtic Name: 1-[2-(2-chloranyl-3-ethoxy-6-fluoranyl-phenyl)ethyl]-3-(5-iodanylpyridin-2-yl)thiourea Openeye Name: 1-[2-(2-chloro-3-ethoxy-6-fluoro-phenyl)ethyl]-3-(5-iodo-2-pyridyl)thiourea CAS Name: 1-[2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl]-3-(5-iodo-2-pyridinyl)thiourea IUPAC Name: 1-[2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl]-3-(5-iodopyridin-2-yl)thiourea Traditional Name: 1-[2-(2-chloro-3-ethoxy-6-fluoro-phenyl)ethyl]-3-(5-iodo-2-pyridyl)thiourea Formula: C16H16ClFIN3OS MolecularWeight: 479.738613

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C=C1)F)CCNC(=S)NC2=NC=C(C=C2)I)Cl

Isomeric SMILES

CCOC1=C(C(=C(C=C1)F)CCNC(=S)NC2=NC=C(C=C2)I)Cl

InChI

InChI=1S/C16H16ClFIN3OS/c1-2-23-13-5-4-12(18)11(15(13)17)7-8-20-16(24)22-14-6-3-10(19)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,24)