2-[2,3-bis(oxidanyl)propylsulfanyl]-6-(ethylamino)-4-phenyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-[2,3-bis(oxidanyl)propylsulfanyl]-6-(ethylamino)-4-phenyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-(2,3-dihydroxypropylsulfanyl)-6-(ethylamino)-4-phenyl-pyridine-3,5-dicarbonitrile CAS Name: 2-(2,3-dihydroxypropylthio)-6-(ethylamino)-4-phenylpyridine-3,5-dicarbonitrile IUPAC Name: 2-(2,3-dihydroxypropylsulfanyl)-6-(ethylamino)-4-phenylpyridine-3,5-dicarbonitrile Traditional Name: 2-(ethylamino)-6-(glycerylthio)-4-phenyl-dinicotinonitrile Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=C(C(=C1C#N)C2=CC=CC=C2)C#N)SCC(CO)O

Isomeric SMILES

CCNC1=NC(=C(C(=C1C#N)C2=CC=CC=C2)C#N)SCC(CO)O

InChI

InChI=1S/C18H18N4O2S/c1-2-21-17-14(8-19)16(12-6-4-3-5-7-12)15(9-20)18(22-17)25-11-13(24)10-23/h3-7,13,23-24H,2,10-11H2,1H3,(H,21,22)