6-chloranyl-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-6-chloro-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]quinazolin-4-one CAS Name: 6-chloro-2-[2-(4-ethoxyphenoxy)ethylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 6-chloro-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-6-chloro-2-[2-(4-ethoxyphenoxy)ethylthio]quinazolin-4-one Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H21ClN2O3S/c1-3-11-24-20(25)18-14-15(22)5-10-19(18)23-21(24)28-13-12-27-17-8-6-16(7-9-17)26-4-2/h3,5-10,14H,1,4,11-13H2,2H3