(2E)-2-(2-methylphenyl)-2-[(5E)-5-propylsulfanyloxyperoxyiminothiophen-2-ylidene]ethanenitrile

Systemtic Name: (2E)-2-(2-methylphenyl)-2-[(5E)-5-propylsulfanyloxyperoxyiminothiophen-2-ylidene]ethanenitrile Openeye Name: (2E)-2-(o-tolyl)-2-[(5E)-5-propylsulfanyloxyperoxyimino-2-thienylidene]acetonitrile CAS Name: 1-propanesulfenic acid IUPAC Name: (2E)-2-(2-methylphenyl)-2-[(5E)-5-propylsulfanyloxyperoxyiminothiophen-2-ylidene]acetonitrile Traditional Name: (2E)-2-(o-tolyl)-2-[(5E)-5-(propylthio)peroxyoximino-2-thienylidene]acetonitrile Formula: C16H16N2O3S2 MolecularWeight: 348.43984

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Descriptors Computed from Structure

Canonical SMILES:

CCCSOOON=C1C=CC(=C(C#N)C2=CC=CC=C2C)S1

Isomeric SMILES

CCCSOOO/N=C/1\C=C/C(=C(\C#N)/C2=CC=CC=C2C)/S1

InChI

InChI=1S/C16H16N2O3S2/c1-3-10-22-21-20-19-18-16-9-8-15(23-16)14(11-17)13-7-5-4-6-12(13)2/h4-9H,3,10H2,1-2H3/b15-14-,18-16+