3-azanyl-2-(pyridin-4-ylmethyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-azanyl-2-(pyridin-4-ylmethyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-amino-2-(4-pyridylmethyl)-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-amino-2-(pyridin-4-ylmethyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-amino-2-(pyridin-4-ylmethyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-amino-2-(4-pyridylmethyl)-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C16H16N4S MolecularWeight: 296.39004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(N(C2=S)CC3=CC=NC=C3)N)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(N(C2=S)CC3=CC=NC=C3)N)C#N

InChI

InChI=1S/C16H16N4S/c17-9-14-12-3-1-2-4-13(12)16(21)20(15(14)18)10-11-5-7-19-8-6-11/h5-8H,1-4,10,18H2