1-[3-[(E)-3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]urea

Systemtic Name: 1-[3-[(E)-3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]urea Openeye Name: [3-[(E)-3-amino-2-cyano-3-thioxo-prop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]urea CAS Name: [3-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]urea IUPAC Name: [3-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]urea Traditional Name: [3-[(E)-3-amino-2-cyano-3-thioxo-prop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]urea Formula: C12H10N6OS MolecularWeight: 286.3124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C2C(=C1NC(=O)N)C(=CN2)C=C(C#N)C(=S)N

Isomeric SMILES

C1=CN=C2C(=C1NC(=O)N)C(=CN2)/C=C(\C#N)/C(=S)N

InChI

InChI=1S/C12H10N6OS/c13-4-6(10(14)20)3-7-5-17-11-9(7)8(1-2-16-11)18-12(15)19/h1-3,5H,(H2,14,20)(H4,15,16,17,18,19)/b6-3+