2-azanyl-4-(4-piperidin-1-ylsulfonylphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile; 4-methylmorpholin-4-ium

Systemtic Name: 2-azanyl-4-(4-piperidin-1-ylsulfonylphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile; 4-methylmorpholin-4-ium Openeye Name: 2-amino-4-[4-(1-piperidylsulfonyl)phenyl]-6-thioxo-1H-pyridine-3,5-dicarbonitrile; 4-methylmorpholin-4-ium CAS Name: 2-amino-4-[4-(1-piperidinylsulfonyl)phenyl]-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile; 4-methylmorpholin-4-ium IUPAC Name: 2-amino-4-(4-piperidin-1-ylsulfonylphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile; 4-methylmorpholin-4-ium Traditional Name: 2-amino-4-(4-piperidinosulfonylphenyl)-6-thioxo-1H-pyridine-3,5-dicarbonitrile; 4-methylmorpholin-4-ium Formula: C23H29N6O3S2+ MolecularWeight: 501.64476

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCOCC1.C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=C(C(=S)NC(=C3C#N)N)C#N

Isomeric SMILES

C[NH+]1CCOCC1.C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=C(C(=S)NC(=C3C#N)N)C#N

InChI

InChI=1S/C18H17N5O2S2.C5H11NO/c19-10-14-16(15(11-20)18(26)22-17(14)21)12-4-6-13(7-5-12)27(24,25)23-8-2-1-3-9-23;1-6-2-4-7-5-3-6/h4-7H,1-3,8-9H2,(H3,21,22,26);2-5H2,1H3/p+1