3H-1,3-benzothiazol-2-ylidene-[3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-2-yl]carbonyl-azanium

Systemtic Name: 3H-1,3-benzothiazol-2-ylidene-[3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-2-yl]carbonyl-azanium Openeye Name: 3H-1,3-benzothiazol-2-ylidene-(3,6-diamino-5-cyano-thieno[2,3-b]pyridine-2-carbonyl)ammonium CAS Name: 3H-1,3-benzothiazol-2-ylidene-[(3,6-diamino-5-cyano-2-thieno[2,3-b]pyridinyl)-oxomethyl]ammonium IUPAC Name: 3H-1,3-benzothiazol-2-ylidene-(3,6-diamino-5-cyanothieno[2,3-b]pyridine-2-carbonyl)azanium Traditional Name: 3H-1,3-benzothiazol-2-ylidene-(3,6-diamino-5-cyano-thieno[2,3-b]pyridine-2-carbonyl)ammonium Formula: C16H11N6OS2+ MolecularWeight: 367.42814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]C(=O)C3=C(C4=C(S3)N=C(C(=C4)C#N)N)N)S2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]C(=O)C3=C(C4=C(S3)N=C(C(=C4)C#N)N)N)S2

InChI

InChI=1S/C16H10N6OS2/c17-6-7-5-8-11(18)12(25-15(8)21-13(7)19)14(23)22-16-20-9-3-1-2-4-10(9)24-16/h1-5H,18H2,(H2,19,21)(H,20,22,23)/p+1