3-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chlorobenzothiophen-3-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-1-benzothiophen-3-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(5-chlorobenzothiophen-3-yl)methylthio]-3-piperonyl-quinazolin-4-one Formula: C25H17ClN2O3S2 MolecularWeight: 492.99708

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC5=CSC6=C5C=C(C=C6)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC5=CSC6=C5C=C(C=C6)Cl

InChI

InChI=1S/C25H17ClN2O3S2/c26-17-6-8-23-19(10-17)16(12-32-23)13-33-25-27-20-4-2-1-3-18(20)24(29)28(25)11-15-5-7-21-22(9-15)31-14-30-21/h1-10,12H,11,13-14H2