N-[2-(5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]-4-nitro-benzamide

Systemtic Name: N-[2-(5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[2-(5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[2-[(5-methyl-4-thieno[2,3-d]pyrimidinyl)thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[2-(5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)thio]phenyl]-4-nitro-benzamide Formula: C20H14N4O3S2 MolecularWeight: 422.48016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=C1C(=NC=N2)SC3=CC=CC=C3NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC2=C1C(=NC=N2)SC3=CC=CC=C3NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O3S2/c1-12-10-28-19-17(12)20(22-11-21-19)29-16-5-3-2-4-15(16)23-18(25)13-6-8-14(9-7-13)24(26)27/h2-11H,1H3,(H,23,25)