6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridine-2-thiolate; 4-methylmorpholin-4-ium

Systemtic Name: 6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridine-2-thiolate; 4-methylmorpholin-4-ium Openeye Name: 6-amino-3,5-dicyano-4-(4-isopropylphenyl)pyridine-2-thiolate; 4-methylmorpholin-4-ium CAS Name: 6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinethiolate; 4-methylmorpholin-4-ium IUPAC Name: 6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridine-2-thiolate; 4-methylmorpholin-4-ium Traditional Name: 6-amino-3,5-dicyano-4-p-cumenyl-pyridine-2-thiolate; 4-methylmorpholin-4-ium Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)[S-])N)C#N.C[NH+]1CCOCC1

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)[S-])N)C#N.C[NH+]1CCOCC1

InChI

InChI=1S/C16H14N4S.C5H11NO/c1-9(2)10-3-5-11(6-4-10)14-12(7-17)15(19)20-16(21)13(14)8-18;1-6-2-4-7-5-3-6/h3-6,9H,1-2H3,(H3,19,20,21);2-5H2,1H3