3-[(4-methylphenyl)methyl]-2-methylsulfanyl-8-nitro-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 3-[(4-methylphenyl)methyl]-2-methylsulfanyl-8-nitro-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 2-methylsulfanyl-8-nitro-3-(p-tolylmethyl)benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-[(4-methylphenyl)methyl]-2-(methylthio)-8-nitro-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-[(4-methylphenyl)methyl]-2-methylsulfanyl-8-nitro-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-(4-methylbenzyl)-2-(methylthio)-8-nitro-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C19H15N3O3S2 MolecularWeight: 397.4707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(C4=C(S3)C=CC(=C4)[N+](=O)[O-])N=C2SC

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(C4=C(S3)C=CC(=C4)[N+](=O)[O-])N=C2SC

InChI

InChI=1S/C19H15N3O3S2/c1-11-3-5-12(6-4-11)10-21-18(23)17-16(20-19(21)26-2)14-9-13(22(24)25)7-8-15(14)27-17/h3-9H,10H2,1-2H3