3-azanyl-7-(phenylmethyl)-1-sulfanylidene-5,6,7,8-tetrahydrothiopyrano[3,4-c]pyridin-7-ium-4-carbonitrile

Systemtic Name: 3-azanyl-7-(phenylmethyl)-1-sulfanylidene-5,6,7,8-tetrahydrothiopyrano[3,4-c]pyridin-7-ium-4-carbonitrile Openeye Name: 3-amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydrothiopyrano[3,4-c]pyridin-7-ium-4-carbonitrile CAS Name: 3-amino-7-(phenylmethyl)-1-sulfanylidene-5,6,7,8-tetrahydrothiopyrano[3,4-c]pyridin-7-ium-4-carbonitrile IUPAC Name: 3-amino-7-benzyl-1-sulfanylidene-5,6,7,8-tetrahydrothiopyrano[3,4-c]pyridin-7-ium-4-carbonitrile Traditional Name: 3-amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydrothiopyrano[3,4-c]pyridin-7-ium-4-carbonitrile Formula: C16H16N3S2+ MolecularWeight: 314.44834

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1C(=C(SC2=S)N)C#N)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CC2=C1C(=C(SC2=S)N)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C16H15N3S2/c17-8-13-12-6-7-19(9-11-4-2-1-3-5-11)10-14(12)16(20)21-15(13)18/h1-5H,6-7,9-10,18H2/p+1