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

Systemtic Name: 5-ethanoyl-2-ethylsulfanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-2-ethylsulfanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-2-(ethylthio)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-2-ethylsulfanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-(ethylthio)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(C(=C(N1)C)C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCSC1=C(C(C(=C(N1)C)C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H17N3O3S/c1-4-24-17-14(9-18)16(15(11(3)21)10(2)19-17)12-6-5-7-13(8-12)20(22)23/h5-8,16,19H,4H2,1-3H3