5-[3-(2-hydroxyethylamino)-1-thiophen-3-yl-propyl]-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile

Systemtic Name: 5-[3-(2-hydroxyethylamino)-1-thiophen-3-yl-propyl]-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile Openeye Name: 5-[3-(2-hydroxyethylamino)-1-(3-thienyl)propyl]-6-oxo-cyclohexa-1,3-diene-1-carbonitrile CAS Name: 5-[3-(2-hydroxyethylamino)-1-(3-thiophenyl)propyl]-6-oxo-1-cyclohexa-1,3-dienecarbonitrile IUPAC Name: 5-[3-(2-hydroxyethylamino)-1-thiophen-3-ylpropyl]-6-oxocyclohexa-1,3-diene-1-carbonitrile Traditional Name: 5-[3-(2-hydroxyethylamino)-1-(3-thienyl)propyl]-6-keto-cyclohexa-1,3-diene-1-carbonitrile Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C(=O)C(=C1)C#N)C(CCNCCO)C2=CSC=C2

Isomeric SMILES

C1=CC(C(=O)C(=C1)C#N)C(CCNCCO)C2=CSC=C2

InChI

InChI=1S/C16H18N2O2S/c17-10-12-2-1-3-15(16(12)20)14(4-6-18-7-8-19)13-5-9-21-11-13/h1-3,5,9,11,14-15,18-19H,4,6-8H2