2-[(3-nitrophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-(2-thienylmethyl)quinazolin-4-one CAS Name: 2-[(3-nitrophenyl)methylthio]-3-(thiophen-2-ylmethyl)-4-quinazolinone IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[(3-nitrobenzyl)thio]-3-(2-thenyl)quinazolin-4-one Formula: C20H15N3O3S2 MolecularWeight: 409.4814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CS4

InChI

InChI=1S/C20H15N3O3S2/c24-19-17-8-1-2-9-18(17)21-20(22(19)12-16-7-4-10-27-16)28-13-14-5-3-6-15(11-14)23(25)26/h1-11H,12-13H2