(3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-2-yl)carbonyl-(6-iodanyl-3H-1,3-benzothiazol-2-ylidene)azanium

Systemtic Name: (3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-2-yl)carbonyl-(6-iodanyl-3H-1,3-benzothiazol-2-ylidene)azanium Openeye Name: (3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carbonyl)-(6-iodo-3H-1,3-benzothiazol-2-ylidene)ammonium CAS Name: [(3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinyl)-oxomethyl]-(6-iodo-3H-1,3-benzothiazol-2-ylidene)ammonium IUPAC Name: (3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)-(6-iodo-3H-1,3-benzothiazol-2-ylidene)azanium Traditional Name: (3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carbonyl)-(6-iodo-3H-1,3-benzothiazol-2-ylidene)ammonium Formula: C17H14IN4OS2+ MolecularWeight: 481.35373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)[NH+]=C3NC4=C(S3)C=C(C=C4)I)N)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)[NH+]=C3NC4=C(S3)C=C(C=C4)I)N)C

InChI

InChI=1S/C17H13IN4OS2/c1-7-5-8(2)20-16-12(7)13(19)14(25-16)15(23)22-17-21-10-4-3-9(18)6-11(10)24-17/h3-6H,19H2,1-2H3,(H,21,22,23)/p+1