4-chloranyl-5-methyl-N-[4-oxidanylidene-3-(phenylmethyl)thieno[3,4-d]pyrimidin-2-yl]-2-sulfanyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-5-methyl-N-[4-oxidanylidene-3-(phenylmethyl)thieno[3,4-d]pyrimidin-2-yl]-2-sulfanyl-benzenesulfonamide Openeye Name: N-(3-benzyl-4-oxo-thieno[3,4-d]pyrimidin-2-yl)-4-chloro-5-methyl-2-sulfanyl-benzenesulfonamide CAS Name: 4-chloro-2-mercapto-5-methyl-N-[4-oxo-3-(phenylmethyl)-2-thieno[3,4-d]pyrimidinyl]benzenesulfonamide IUPAC Name: N-(3-benzyl-4-oxothieno[3,4-d]pyrimidin-2-yl)-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide Traditional Name: N-(3-benzyl-4-keto-thieno[3,4-d]pyrimidin-2-yl)-4-chloro-2-mercapto-5-methyl-benzenesulfonamide Formula: C20H16ClN3O3S3 MolecularWeight: 478.00734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CSC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CSC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C20H16ClN3O3S3/c1-12-7-18(17(28)8-15(12)21)30(26,27)23-20-22-16-11-29-10-14(16)19(25)24(20)9-13-5-3-2-4-6-13/h2-8,10-11,28H,9H2,1H3,(H,22,23)