5-ethanoyl-6-methyl-2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[(4-nitrophenyl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-[(4-nitrobenzyl)thio]nicotinonitrile Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC2=CC=C(C=C2)[N+](=O)[O-])C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC2=CC=C(C=C2)[N+](=O)[O-])C#N)C(=O)C

InChI

InChI=1S/C16H13N3O3S/c1-10-15(11(2)20)7-13(8-17)16(18-10)23-9-12-3-5-14(6-4-12)19(21)22/h3-7H,9H2,1-2H3