3-(furan-2-ylmethyl)-2-[3-(phenylsulfonyl)propylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(furan-2-ylmethyl)-2-[3-(phenylsulfonyl)propylsulfanyl]quinazolin-4-one Openeye Name: 2-[3-(benzenesulfonyl)propylsulfanyl]-3-(2-furylmethyl)quinazolin-4-one CAS Name: 2-[3-(benzenesulfonyl)propylthio]-3-(2-furanylmethyl)-4-quinazolinone IUPAC Name: 2-[3-(benzenesulfonyl)propylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-(3-besylpropylthio)-3-(2-furfuryl)quinazolin-4-one Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C22H20N2O4S2/c25-21-19-11-4-5-12-20(19)23-22(24(21)16-17-8-6-13-28-17)29-14-7-15-30(26,27)18-9-2-1-3-10-18/h1-6,8-13H,7,14-16H2