6-azanyl-5-cyano-N,4-diphenyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 6-azanyl-5-cyano-N,4-diphenyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 2-allylsulfanyl-6-amino-5-cyano-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide CAS Name: 6-amino-5-cyano-N,4-diphenyl-2-(prop-2-enylthio)-1,4-dihydropyridine-3-carboxamide IUPAC Name: 6-amino-5-cyano-N,4-diphenyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 2-(allylthio)-6-amino-5-cyano-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C(C(=C(N1)N)C#N)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C=CCSC1=C(C(C(=C(N1)N)C#N)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H20N4OS/c1-2-13-28-22-19(21(27)25-16-11-7-4-8-12-16)18(15-9-5-3-6-10-15)17(14-23)20(24)26-22/h2-12,18,26H,1,13,24H2,(H,25,27)