6-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-7-cyano-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-olate

Systemtic Name: 6-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-7-cyano-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-olate Openeye Name: 6-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-7-cyano-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate CAS Name: 6-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]thio]-7-cyano-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate IUPAC Name: 6-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-7-cyano-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate Traditional Name: 6-[[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]thio]-7-cyano-4-keto-1H-thieno[3,2-d]pyrimidin-2-olate Formula: C16H10ClN4O3S2- MolecularWeight: 405.8586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C3=C(S2)C(=O)N=C(N3)[O-])C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C3=C(S2)C(=O)N=C(N3)[O-])C#N)Cl

InChI

InChI=1S/C16H11ClN4O3S2/c1-7-2-3-8(4-10(7)17)19-11(22)6-25-15-9(5-18)12-13(26-15)14(23)21-16(24)20-12/h2-4H,6H2,1H3,(H,19,22)(H2,20,21,23,24)/p-1