2-azanylidene-2-(4-methoxyphenyl)ethanenitrile; 3-heptyl-1,2-oxathiirane 2,2-dioxide

Systemtic Name: 2-azanylidene-2-(4-methoxyphenyl)ethanenitrile; 3-heptyl-1,2-oxathiirane 2,2-dioxide Openeye Name: 3-heptyloxathiirane 2,2-dioxide; 4-methoxybenzimidoyl cyanide CAS Name: 3-heptyloxathiirane 2,2-dioxide; 2-imino-2-(4-methoxyphenyl)acetonitrile IUPAC Name: 3-heptyloxathiirane 2,2-dioxide; 4-methoxybenzenecarboximidoyl cyanide Traditional Name: 3-heptyloxathiirane 2,2-dioxide; 2-imino-2-(4-methoxyphenyl)acetonitrile Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1OS1(=O)=O.COC1=CC=C(C=C1)C(=N)C#N

Isomeric SMILES

CCCCCCCC1OS1(=O)=O.COC1=CC=C(C=C1)C(=N)C#N

InChI

InChI=1S/C9H8N2O.C8H16O3S/c1-12-8-4-2-7(3-5-8)9(11)6-10;1-2-3-4-5-6-7-8-11-12(8,9)10/h2-5,11H,1H3;8H,2-7H2,1H3