5-[4-(pyridin-4-ylmethyl)indeno[1,2-b]thiophen-4-yl]pentanenitrile hydrate hydrobromide

Systemtic Name: 5-[4-(pyridin-4-ylmethyl)indeno[1,2-b]thiophen-4-yl]pentanenitrile hydrate hydrobromide Openeye Name: 5-[4-(4-pyridylmethyl)indeno[1,2-b]thiophen-4-yl]pentanenitrile hydrate hydrobromide CAS Name: 5-[4-(pyridin-4-ylmethyl)-4-indeno[1,2-b]thiophenyl]pentanenitrile hydrate hydrobromide IUPAC Name: 5-[4-(pyridin-4-ylmethyl)indeno[1,2-b]thiophen-4-yl]pentanenitrile hydrate hydrobromide Traditional Name: 5-[4-(4-pyridylmethyl)indeno[1,2-b]thiophen-4-yl]valeronitrile hydrate hydrobromide Formula: C22H23BrN2OS MolecularWeight: 443.39982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(C2(CCCCC#N)CC4=CC=NC=C4)C=CS3.O.Br

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(C2(CCCCC#N)CC4=CC=NC=C4)C=CS3.O.Br

InChI

InChI=1S/C22H20N2S.BrH.H2O/c23-12-5-1-4-11-22(16-17-8-13-24-14-9-17)19-7-3-2-6-18(19)21-20(22)10-15-25-21;;/h2-3,6-10,13-15H,1,4-5,11,16H2;1H;1H2