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

Systemtic Name: 6-[[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2CCCC2)CCCNC=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CSC1=NN=C(N1C2CCCC2)CCCNC=C3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O3S/c1-27-18-21-20-17(22(18)14-5-2-3-6-14)7-4-10-19-12-13-11-15(23(25)26)8-9-16(13)24/h8-9,11-12,14,19H,2-7,10H2,1H3