N-[bis(azanyl)methylidene]-1-(1-methylsulfonylindol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-1-(1-methylsulfonylindol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide Openeye Name: N-(diaminomethylene)-1-(1-methylsulfonylindol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide CAS Name: N-(diaminomethylidene)-1-(1-methylsulfonyl-4-indolyl)-3-pyrrolo[2,3-b]pyridinecarboxamide IUPAC Name: N-(diaminomethylidene)-1-(1-methylsulfonylindol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide Traditional Name: N-(diaminomethylene)-1-(1-mesylindol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide Formula: C18H16N6O3S MolecularWeight: 396.42304

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C=CC2=C1C=CC=C2N3C=C(C4=C3N=CC=C4)C(=O)N=C(N)N

Isomeric SMILES

CS(=O)(=O)N1C=CC2=C1C=CC=C2N3C=C(C4=C3N=CC=C4)C(=O)N=C(N)N

InChI

InChI=1S/C18H16N6O3S/c1-28(26,27)24-9-7-12-14(5-2-6-15(12)24)23-10-13(17(25)22-18(19)20)11-4-3-8-21-16(11)23/h2-10H,1H3,(H4,19,20,22,25)