2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzenecarbonitrile; methyl hydrogen sulfate

Systemtic Name: 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzenecarbonitrile; methyl hydrogen sulfate Openeye Name: 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzonitrile; methyl hydrogen sulfate CAS Name: 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzonitrile; sulfuric acid methyl ester IUPAC Name: 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzonitrile; methyl hydrogen sulfate Traditional Name: 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzonitrile; sulfuric acid methyl ester Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)O.C1CN(CC2=C1SC=C2)CC3=CC=CC=C3C#N

Isomeric SMILES

COS(=O)(=O)O.C1CN(CC2=C1SC=C2)CC3=CC=CC=C3C#N

InChI

InChI=1S/C15H14N2S.CH4O4S/c16-9-12-3-1-2-4-13(12)10-17-7-5-15-14(11-17)6-8-18-15;1-5-6(2,3)4/h1-4,6,8H,5,7,10-11H2;1H3,(H,2,3,4)