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

Systemtic Name: (E)-3-[4-(aminomethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-cyano-prop-2-enethioamide Openeye Name: (E)-3-[4-(aminomethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-cyano-prop-2-enethioamide CAS Name: (E)-3-[4-(aminomethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-cyano-2-propenethioamide IUPAC Name: (E)-3-[4-(aminomethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-cyanoprop-2-enethioamide Traditional Name: (E)-3-[4-(aminomethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-cyano-thioacrylamide Formula: C12H11N5S MolecularWeight: 257.31424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C2C(=C1CN)C(=CN2)C=C(C#N)C(=S)N

Isomeric SMILES

C1=CN=C2C(=C1CN)C(=CN2)/C=C(\C#N)/C(=S)N

InChI

InChI=1S/C12H11N5S/c13-4-7-1-2-16-12-10(7)9(6-17-12)3-8(5-14)11(15)18/h1-3,6H,4,13H2,(H2,15,18)(H,16,17)/b8-3+