3-[2,4-bis(chloranyl)-5-propan-2-yloxy-phenyl]-6-chloranyl-2-prop-2-ynylsulfanyl-quinazolin-4-one

Systemtic Name: 3-[2,4-bis(chloranyl)-5-propan-2-yloxy-phenyl]-6-chloranyl-2-prop-2-ynylsulfanyl-quinazolin-4-one Openeye Name: 6-chloro-3-(2,4-dichloro-5-isopropoxy-phenyl)-2-prop-2-ynylsulfanyl-quinazolin-4-one CAS Name: 6-chloro-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-(prop-2-ynylthio)-4-quinazolinone IUPAC Name: 6-chloro-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one Traditional Name: 6-chloro-3-(2,4-dichloro-5-isopropoxy-phenyl)-2-(propargylthio)quinazolin-4-one Formula: C20H15Cl3N2O2S MolecularWeight: 453.7693

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C(=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCC#C)Cl)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C(=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCC#C)Cl)Cl

InChI

InChI=1S/C20H15Cl3N2O2S/c1-4-7-28-20-24-16-6-5-12(21)8-13(16)19(26)25(20)17-10-18(27-11(2)3)15(23)9-14(17)22/h1,5-6,8-11H,7H2,2-3H3