N-(3-nitrophenyl)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3-nitrophenyl)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-nitrophenyl)propanamide CAS Name: N-(3-nitrophenyl)-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(3-nitrophenyl)-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(3-nitrophenyl)propionamide Formula: C18H16N4O4S2 MolecularWeight: 416.47404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=C(C=CS3)C(=O)N2CC=C

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=C(C=CS3)C(=O)N2CC=C

InChI

InChI=1S/C18H16N4O4S2/c1-3-8-21-17(24)14-7-9-27-16(14)20-18(21)28-11(2)15(23)19-12-5-4-6-13(10-12)22(25)26/h3-7,9-11H,1,8H2,2H3,(H,19,23)