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

Systemtic Name: 4-(methoxymethyl)-6-methyl-2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 4-(methoxymethyl)-6-methyl-2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 4-(methoxymethyl)-6-methyl-2-[(4-nitrophenyl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 4-(methoxymethyl)-6-methyl-2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 4-(methoxymethyl)-6-methyl-2-[(4-nitrobenzyl)thio]nicotinonitrile Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)COC)C#N)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C(=C1)COC)C#N)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O3S/c1-11-7-13(9-22-2)15(8-17)16(18-11)23-10-12-3-5-14(6-4-12)19(20)21/h3-7H,9-10H2,1-2H3