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

Systemtic Name: 5-ethanoyl-6-methyl-4-(3-nitrophenyl)-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-2-allylsulfanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-4-(3-nitrophenyl)-2-(prop-2-enylthio)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-6-methyl-4-(3-nitrophenyl)-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-(allylthio)-6-methyl-4-(3-nitrophenyl)-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(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/C18H17N3O3S/c1-4-8-25-18-15(10-19)17(16(12(3)22)11(2)20-18)13-6-5-7-14(9-13)21(23)24/h4-7,9,17,20H,1,8H2,2-3H3