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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4S/c17-8-14-12-5-1-2-6-13(12)16(21)20(15(14)18)10-11-4-3-7-19-9-11/h3-4,7,9H,1-2,5-6,10,18H2