3-[6-(2-hydroxyethyloxymethyl)-2-methyl-3,5-bis(oxidanylidene)cyclohexen-1-yl]sulfanylbenzenecarbonitrile

Systemtic Name: 3-[6-(2-hydroxyethyloxymethyl)-2-methyl-3,5-bis(oxidanylidene)cyclohexen-1-yl]sulfanylbenzenecarbonitrile Openeye Name: 3-[6-(2-hydroxyethoxymethyl)-2-methyl-3,5-dioxo-cyclohexen-1-yl]sulfanylbenzonitrile CAS Name: 3-[[6-(2-hydroxyethoxymethyl)-2-methyl-3,5-dioxo-1-cyclohexenyl]thio]benzonitrile IUPAC Name: 3-[6-(2-hydroxyethoxymethyl)-2-methyl-3,5-dioxocyclohexen-1-yl]sulfanylbenzonitrile Traditional Name: 3-[[6-(2-hydroxyethoxymethyl)-3,5-diketo-2-methyl-cyclohexen-1-yl]thio]benzonitrile Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)CC1=O)COCCO)SC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=C(C(C(=O)CC1=O)COCCO)SC2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H17NO4S/c1-11-15(20)8-16(21)14(10-22-6-5-19)17(11)23-13-4-2-3-12(7-13)9-18/h2-4,7,14,19H,5-6,8,10H2,1H3