3-(3,4-dimethoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-2-(1-naphthylmethylsulfanyl)quinazolin-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-2-(1-naphthalenylmethylthio)-4-quinazolinone IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-2-(1-naphthylmethylthio)quinazolin-4-one Formula: C27H22N2O3S MolecularWeight: 454.54018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC5=CC=CC=C54)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC5=CC=CC=C54)OC

InChI

InChI=1S/C27H22N2O3S/c1-31-24-15-14-20(16-25(24)32-2)29-26(30)22-12-5-6-13-23(22)28-27(29)33-17-19-10-7-9-18-8-3-4-11-21(18)19/h3-16H,17H2,1-2H3