2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)thio]methyl]isoindoline-1,3-quinone Formula: C20H17N3O2S2 MolecularWeight: 395.49788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C20H17N3O2S2/c1-11-21-17(16-14-8-4-5-9-15(14)27-18(16)22-11)26-10-23-19(24)12-6-2-3-7-13(12)20(23)25/h2-3,6-7H,4-5,8-10H2,1H3