2-[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-3-prop-2-enyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one

Systemtic Name: 2-[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-3-prop-2-enyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one Openeye Name: 3-allyl-2-[2-(5-chloro-2-thienyl)-2-oxo-ethyl]sulfanyl-6-methyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one CAS Name: 2-[[2-(5-chloro-2-thiophenyl)-2-oxoethyl]thio]-6-methyl-3-prop-2-enyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one IUPAC Name: 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-6-methyl-3-prop-2-enyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one Traditional Name: 3-allyl-2-[[2-(5-chloro-2-thienyl)-2-keto-ethyl]thio]-6-methyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one Formula: C16H14ClN2O2S3+ MolecularWeight: 397.94256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2C(=NC(=[N+](C2=O)CC=C)SCC(=O)C3=CC=C(S3)Cl)S1

Isomeric SMILES

CC1=CC2C(=NC(=[N+](C2=O)CC=C)SCC(=O)C3=CC=C(S3)Cl)S1

InChI

InChI=1S/C16H14ClN2O2S3/c1-3-6-19-15(21)10-7-9(2)23-14(10)18-16(19)22-8-11(20)12-4-5-13(17)24-12/h3-5,7,10H,1,6,8H2,2H3/q+1