2-azanyl-4-(4-butylphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile; 4-methylmorpholine

Systemtic Name: 2-azanyl-4-(4-butylphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile; 4-methylmorpholine Openeye Name: 2-amino-4-(4-butylphenyl)-6-thioxo-1H-pyridine-3,5-dicarbonitrile; 4-methylmorpholine CAS Name: 2-amino-4-(4-butylphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile; 4-methylmorpholine IUPAC Name: 2-amino-4-(4-butylphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile; 4-methylmorpholine Traditional Name: 2-amino-4-(4-butylphenyl)-6-thioxo-1H-pyridine-3,5-dicarbonitrile; 4-methylmorpholine Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=C(C(=S)NC(=C2C#N)N)C#N.CN1CCOCC1

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C(C(=S)NC(=C2C#N)N)C#N.CN1CCOCC1

InChI

InChI=1S/C17H16N4S.C5H11NO/c1-2-3-4-11-5-7-12(8-6-11)15-13(9-18)16(20)21-17(22)14(15)10-19;1-6-2-4-7-5-3-6/h5-8H,2-4H2,1H3,(H3,20,21,22);2-5H2,1H3