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

Systemtic Name: 2-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-3-(thiophen-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[(5-chlorobenzothiophen-3-yl)methylsulfanyl]-3-(2-thienylmethyl)quinazolin-4-one CAS Name: 2-[(5-chloro-1-benzothiophen-3-yl)methylthio]-3-(thiophen-2-ylmethyl)-4-quinazolinone IUPAC Name: 2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-3-(thiophen-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[(5-chlorobenzothiophen-3-yl)methylthio]-3-(2-thenyl)quinazolin-4-one Formula: C22H15ClN2OS3 MolecularWeight: 455.0153

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CSC4=C3C=C(C=C4)Cl)CC5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CSC4=C3C=C(C=C4)Cl)CC5=CC=CS5

InChI

InChI=1S/C22H15ClN2OS3/c23-15-7-8-20-18(10-15)14(12-28-20)13-29-22-24-19-6-2-1-5-17(19)21(26)25(22)11-16-4-3-9-27-16/h1-10,12H,11,13H2