4-(4-methylsulfonyl-2-nitro-phenyl)sulfanylthieno[2,3-d]pyrimidine

Systemtic Name: 4-(4-methylsulfonyl-2-nitro-phenyl)sulfanylthieno[2,3-d]pyrimidine Openeye Name: 4-(4-methylsulfonyl-2-nitro-phenyl)sulfanylthieno[2,3-d]pyrimidine CAS Name: 4-[(4-methylsulfonyl-2-nitrophenyl)thio]thieno[2,3-d]pyrimidine IUPAC Name: 4-(4-methylsulfonyl-2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidine Traditional Name: 4-[(4-mesyl-2-nitro-phenyl)thio]thieno[2,3-d]pyrimidine Formula: C13H9N3O4S3 MolecularWeight: 367.42326

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NC=NC3=C2C=CS3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NC=NC3=C2C=CS3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O4S3/c1-23(19,20)8-2-3-11(10(6-8)16(17)18)22-13-9-4-5-21-12(9)14-7-15-13/h2-7H,1H3