2-[(2-chloranyl-4-nitro-phenyl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(2-chloranyl-4-nitro-phenyl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(2-chloro-4-nitro-phenyl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(2-chloro-4-nitrophenyl)thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(2-chloro-4-nitrophenyl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(2-chloro-4-nitro-phenyl)thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C15H12ClN3O3S2 MolecularWeight: 381.85708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C15H12ClN3O3S2/c1-7-8(2)24-15-13(7)14(20)17-12(18-15)6-23-11-4-3-9(19(21)22)5-10(11)16/h3-5H,6H2,1-2H3,(H,17,18,20)