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

Systemtic Name: (3R,4R)-5-ethanoyl-6-methyl-4-(2-nitrophenyl)-3-prop-2-enyl-2-sulfanylidene-1,4-dihydropyridine-3-carbonitrile Openeye Name: (3R,4R)-5-acetyl-3-allyl-6-methyl-4-(2-nitrophenyl)-2-thioxo-1,4-dihydropyridine-3-carbonitrile CAS Name: (3R,4R)-5-acetyl-6-methyl-4-(2-nitrophenyl)-3-prop-2-enyl-2-sulfanylidene-1,4-dihydropyridine-3-carbonitrile IUPAC Name: (3R,4R)-5-acetyl-6-methyl-4-(2-nitrophenyl)-3-prop-2-enyl-2-sulfanylidene-1,4-dihydropyridine-3-carbonitrile Traditional Name: (3R,4R)-5-acetyl-3-allyl-6-methyl-4-(2-nitrophenyl)-2-thioxo-1,4-dihydropyridine-3-carbonitrile Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S/c1-4-9-18(10-19)16(13-7-5-6-8-14(13)21(23)24)15(12(3)22)11(2)20-17(18)25/h4-8,16H,1,9H2,2-3H3,(H,20,25)/t16-,18+/m1/s1