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

Systemtic Name: 5-ethanoyl-6-methyl-4-(2-nitrophenyl)-2-prop-2-ynylsulfanyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-4-(2-nitrophenyl)-2-prop-2-ynylsulfanyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-4-(2-nitrophenyl)-2-(prop-2-ynylthio)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-6-methyl-4-(2-nitrophenyl)-2-prop-2-ynylsulfanyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-4-(2-nitrophenyl)-2-(propargylthio)-1,4-dihydropyridine-3-carbonitrile Formula: C18H15N3O3S MolecularWeight: 353.395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O3S/c1-4-9-25-18-14(10-19)17(16(12(3)22)11(2)20-18)13-7-5-6-8-15(13)21(23)24/h1,5-8,17,20H,9H2,2-3H3