2-[(2-nitrophenyl)methylsulfanyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(2-nitrophenyl)methylsulfanyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(2-nitrophenyl)methylsulfanyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(2-nitrophenyl)methylthio]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(2-nitrophenyl)methylsulfanyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2-nitrobenzyl)thio]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H11N3O3S3 MolecularWeight: 401.48254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O3S3/c21-15-14-11(13-6-3-7-24-13)9-25-16(14)19-17(18-15)26-8-10-4-1-2-5-12(10)20(22)23/h1-7,9H,8H2,(H,18,19,21)