(3-azanyl-4,5,6-trimethyl-thieno[2,3-b]pyridin-7-ium-2-yl)-(4-nitrophenyl)methanone

Systemtic Name: (3-azanyl-4,5,6-trimethyl-thieno[2,3-b]pyridin-7-ium-2-yl)-(4-nitrophenyl)methanone Openeye Name: (3-amino-4,5,6-trimethyl-thieno[2,3-b]pyridin-7-ium-2-yl)-(4-nitrophenyl)methanone CAS Name: (3-amino-4,5,6-trimethyl-2-thieno[2,3-b]pyridin-7-iumyl)-(4-nitrophenyl)methanone IUPAC Name: (3-amino-4,5,6-trimethylthieno[2,3-b]pyridin-7-ium-2-yl)-(4-nitrophenyl)methanone Traditional Name: (3-amino-4,5,6-trimethyl-thieno[2,3-b]pyridin-7-ium-2-yl)-(4-nitrophenyl)methanone Formula: C17H16N3O3S+ MolecularWeight: 342.39224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=C2C(=C1C)C(=C(S2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])N)C

Isomeric SMILES

CC1=C([NH+]=C2C(=C1C)C(=C(S2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])N)C

InChI

InChI=1S/C17H15N3O3S/c1-8-9(2)13-14(18)16(24-17(13)19-10(8)3)15(21)11-4-6-12(7-5-11)20(22)23/h4-7H,18H2,1-3H3/p+1