6-[[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]methylidene]-2-ethoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]methylidene]-2-ethoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]methylene]-2-ethoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]methylidene]-2-ethoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]methylidene]-2-ethoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]methylene]-2-ethoxy-cyclohexa-2,4-dien-1-one Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=CNCCCC2=NN=C(N2C3CCCC3)SC)C1=O

Isomeric SMILES

CCOC1=CC=CC(=CNCCCC2=NN=C(N2C3CCCC3)SC)C1=O

InChI

InChI=1S/C20H28N4O2S/c1-3-26-17-11-6-8-15(19(17)25)14-21-13-7-12-18-22-23-20(27-2)24(18)16-9-4-5-10-16/h6,8,11,14,16,21H,3-5,7,9-10,12-13H2,1-2H3