1-[[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]methylidene]naphthalen-2-one

Systemtic Name: 1-[[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]methylidene]naphthalen-2-one Openeye Name: 1-[[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]methylene]naphthalen-2-one CAS Name: 1-[[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]methylidene]-2-naphthalenone IUPAC Name: 1-[[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]methylidene]naphthalen-2-one Traditional Name: 1-[[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]methylene]naphthalen-2-one Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2CCCC2)CCCNC=C3C(=O)C=CC4=CC=CC=C43

Isomeric SMILES

CSC1=NN=C(N1C2CCCC2)CCCNC=C3C(=O)C=CC4=CC=CC=C43

InChI

InChI=1S/C22H26N4OS/c1-28-22-25-24-21(26(22)17-8-3-4-9-17)11-6-14-23-15-19-18-10-5-2-7-16(18)12-13-20(19)27/h2,5,7,10,12-13,15,17,23H,3-4,6,8-9,11,14H2,1H3