2-[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[5-(2-chloro-4-nitro-phenyl)-2-furyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[5-(2-chloro-4-nitrophenyl)-2-furanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[5-(2-chloro-4-nitro-phenyl)-2-furyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C20H14ClN3O4S MolecularWeight: 427.86086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC=C(O4)C5=C(C=C(C=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC=C(O4)C5=C(C=C(C=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H14ClN3O4S/c21-13-9-10(24(26)27)5-6-11(13)14-7-8-15(28-14)18-22-19(25)17-12-3-1-2-4-16(12)29-20(17)23-18/h5-9H,1-4H2,(H,22,23,25)