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

Systemtic Name: 6-[[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]methylidene]-3-propoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]methylidene]-3-propoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=O)C(=CNCCCC2=NN=C(N2C3CCCC3)SC)C=C1

Isomeric SMILES

CCCOC1=CC(=O)C(=CNCCCC2=NN=C(N2C3CCCC3)SC)C=C1

InChI

InChI=1S/C21H30N4O2S/c1-3-13-27-18-11-10-16(19(26)14-18)15-22-12-6-9-20-23-24-21(28-2)25(20)17-7-4-5-8-17/h10-11,14-15,17,22H,3-9,12-13H2,1-2H3