N-(1H-indol-3-ylmethyl)-2-(5-isoquinolin-6-ylpyridin-3-yl)sulfanyl-ethanamine

Systemtic Name: N-(1H-indol-3-ylmethyl)-2-(5-isoquinolin-6-ylpyridin-3-yl)sulfanyl-ethanamine Openeye Name: N-(1H-indol-3-ylmethyl)-2-[[5-(6-isoquinolyl)-3-pyridyl]sulfanyl]ethanamine CAS Name: N-(1H-indol-3-ylmethyl)-2-[[5-(6-isoquinolinyl)-3-pyridinyl]thio]ethanamine IUPAC Name: N-(1H-indol-3-ylmethyl)-2-(5-isoquinolin-6-ylpyridin-3-yl)sulfanylethanamine Traditional Name: 1H-indol-3-ylmethyl-[2-[[5-(6-isoquinolyl)-3-pyridyl]thio]ethyl]amine Formula: C25H22N4S MolecularWeight: 410.53398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CNCCSC3=CN=CC(=C3)C4=CC5=C(C=C4)C=NC=C5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CNCCSC3=CN=CC(=C3)C4=CC5=C(C=C4)C=NC=C5

InChI

InChI=1S/C25H22N4S/c1-2-4-25-24(3-1)22(16-29-25)15-27-9-10-30-23-12-21(14-28-17-23)18-5-6-20-13-26-8-7-19(20)11-18/h1-8,11-14,16-17,27,29H,9-10,15H2