(4R)-5-ethanoyl-2-ethynylsulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: (4R)-5-ethanoyl-2-ethynylsulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Openeye Name: (4R)-5-acetyl-2-ethynylsulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile CAS Name: (4R)-5-acetyl-2-(ethynylthio)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: (4R)-5-acetyl-2-ethynylsulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Traditional Name: (4R)-5-acetyl-2-(ethynylthio)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SC#C)C#N)C2=CC=CC=C2[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C([C@H](C(=C(N1)SC#C)C#N)C2=CC=CC=C2[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C17H13N3O3S/c1-4-24-17-13(9-18)16(15(11(3)21)10(2)19-17)12-7-5-6-8-14(12)20(22)23/h1,5-8,16,19H,2-3H3/t16-/m0/s1