6-azanyl-3,5-dicyano-4-naphthalen-1-yl-1,4-dihydropyridine-2-thiolate; morpholin-4-ium

Systemtic Name: 6-azanyl-3,5-dicyano-4-naphthalen-1-yl-1,4-dihydropyridine-2-thiolate; morpholin-4-ium Openeye Name: 6-amino-3,5-dicyano-4-(1-naphthyl)-1,4-dihydropyridine-2-thiolate; morpholin-4-ium CAS Name: 6-amino-3,5-dicyano-4-(1-naphthalenyl)-1,4-dihydropyridine-2-thiolate; morpholin-4-ium IUPAC Name: 6-amino-3,5-dicyano-4-naphthalen-1-yl-1,4-dihydropyridine-2-thiolate; morpholin-4-ium Traditional Name: 6-amino-3,5-dicyano-4-(1-naphthyl)-1,4-dihydropyridine-2-thiolate; morpholin-4-ium Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH2+]1.C1=CC=C2C(=C1)C=CC=C2C3C(=C(NC(=C3C#N)[S-])N)C#N

Isomeric SMILES

C1COCC[NH2+]1.C1=CC=C2C(=C1)C=CC=C2C3C(=C(NC(=C3C#N)[S-])N)C#N

InChI

InChI=1S/C17H12N4S.C4H9NO/c18-8-13-15(14(9-19)17(22)21-16(13)20)12-7-3-5-10-4-1-2-6-11(10)12;1-3-6-4-2-5-1/h1-7,15,21-22H,20H2;5H,1-4H2