2-(4-chloranyl-2-nitro-phenyl)sulfanyl-5,6-dimethyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(4-chloranyl-2-nitro-phenyl)sulfanyl-5,6-dimethyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-(4-chloro-2-nitro-phenyl)sulfanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-chloro-2-nitrophenyl)thio]-5,6-dimethyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(4-chloro-2-nitrophenyl)sulfanyl-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(4-chloro-2-nitro-phenyl)thio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C17H14ClN3O3S2 MolecularWeight: 407.89436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SC3=C(C=C(C=C3)Cl)[N+](=O)[O-])CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SC3=C(C=C(C=C3)Cl)[N+](=O)[O-])CC=C)C

InChI

InChI=1S/C17H14ClN3O3S2/c1-4-7-20-16(22)14-9(2)10(3)25-15(14)19-17(20)26-13-6-5-11(18)8-12(13)21(23)24/h4-6,8H,1,7H2,2-3H3