(E)-3-(4-carbamimidoyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-cyano-prop-2-enethioamide

Systemtic Name: (E)-3-(4-carbamimidoyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-cyano-prop-2-enethioamide Openeye Name: (E)-3-(4-carbamimidoyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-cyano-prop-2-enethioamide CAS Name: (E)-3-(4-carbamimidoyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-cyano-2-propenethioamide IUPAC Name: (E)-3-(4-carbamimidoyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-cyanoprop-2-enethioamide Traditional Name: (E)-3-(4-amidino-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-cyano-thioacrylamide Formula: C12H10N6S MolecularWeight: 270.313

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C2C(=C1C(=N)N)C(=CN2)C=C(C#N)C(=S)N

Isomeric SMILES

C1=CN=C2C(=C1C(=N)N)C(=CN2)/C=C(\C#N)/C(=S)N

InChI

InChI=1S/C12H10N6S/c13-4-6(11(16)19)3-7-5-18-12-9(7)8(10(14)15)1-2-17-12/h1-3,5H,(H3,14,15)(H2,16,19)(H,17,18)/b6-3+