6-(phenylmethyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-6-ium-3-carbonitrile

Systemtic Name: 6-(phenylmethyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-6-ium-3-carbonitrile Openeye Name: 6-benzyl-2-thioxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-6-ium-3-carbonitrile CAS Name: 6-(phenylmethyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-6-ium-3-carbonitrile IUPAC Name: 6-benzyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-6-ium-3-carbonitrile Traditional Name: 6-benzyl-2-thioxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-6-ium-3-carbonitrile Formula: C16H16N3S+ MolecularWeight: 282.38334

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1NC(=S)C(=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CC2=C1NC(=S)C(=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C16H15N3S/c17-9-13-8-14-11-19(7-6-15(14)18-16(13)20)10-12-4-2-1-3-5-12/h1-5,8H,6-7,10-11H2,(H,18,20)/p+1