3-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 3-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-(p-tolylmethyl)-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-(4-methylbenzyl)-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C18H14N2OS2 MolecularWeight: 338.44656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4S3)NC2=S

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4S3)NC2=S

InChI

InChI=1S/C18H14N2OS2/c1-11-6-8-12(9-7-11)10-20-17(21)16-15(19-18(20)22)13-4-2-3-5-14(13)23-16/h2-9H,10H2,1H3,(H,19,22)