3-[2-(2-fluoranyl-4-methoxy-phenyl)ethyl]-7-isothiocyanato-quinazolin-4-one

Systemtic Name: 3-[2-(2-fluoranyl-4-methoxy-phenyl)ethyl]-7-isothiocyanato-quinazolin-4-one Openeye Name: 3-[2-(2-fluoro-4-methoxy-phenyl)ethyl]-7-isothiocyanato-quinazolin-4-one CAS Name: 3-[2-(2-fluoro-4-methoxyphenyl)ethyl]-7-isothiocyanato-4-quinazolinone IUPAC Name: 3-[2-(2-fluoro-4-methoxyphenyl)ethyl]-7-isothiocyanatoquinazolin-4-one Traditional Name: 3-[2-(2-fluoro-4-methoxy-phenyl)ethyl]-7-isothiocyanato-quinazolin-4-one Formula: C18H14FN3O2S MolecularWeight: 355.386063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CCN2C=NC3=C(C2=O)C=CC(=C3)N=C=S)F

Isomeric SMILES

COC1=CC(=C(C=C1)CCN2C=NC3=C(C2=O)C=CC(=C3)N=C=S)F

InChI

InChI=1S/C18H14FN3O2S/c1-24-14-4-2-12(16(19)9-14)6-7-22-10-20-17-8-13(21-11-25)3-5-15(17)18(22)23/h2-5,8-10H,6-7H2,1H3