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

Systemtic Name: 6-[[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]methylidene]-2-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]methylene]-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]methylidene]-2-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]methylidene]-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]methylene]-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=CNCCCC2=NN=C(N2C3CCCC3)SC)C1=O

Isomeric SMILES

COC1=CC=CC(=CNCCCC2=NN=C(N2C3CCCC3)SC)C1=O

InChI

InChI=1S/C19H26N4O2S/c1-25-16-10-5-7-14(18(16)24)13-20-12-6-11-17-21-22-19(26-2)23(17)15-8-3-4-9-15/h5,7,10,13,15,20H,3-4,6,8-9,11-12H2,1-2H3