(4Z)-4-[5-(1-azanyl-3-methylsulfanyl-propyl)-1,2,4-oxadiazol-3-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-4-[5-(1-azanyl-3-methylsulfanyl-propyl)-1,2,4-oxadiazol-3-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-4-[5-(1-amino-3-methylsulfanyl-propyl)-1,2,4-oxadiazol-3-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: (4Z)-4-[5-[1-amino-3-(methylthio)propyl]-1,2,4-oxadiazol-3-ylidene]-2-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-4-[5-(1-amino-3-methylsulfanylpropyl)-1,2,4-oxadiazol-3-ylidene]-2-methoxycyclohexa-2,5-dien-1-one Traditional Name: (4Z)-4-[5-[1-amino-3-(methylthio)propyl]-1,2,4-oxadiazol-3-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2NOC(=N2)C(CCSC)N)C=CC1=O

Isomeric SMILES

COC1=C/C(=C/2\NOC(=N2)C(CCSC)N)/C=CC1=O

InChI

InChI=1S/C13H17N3O3S/c1-18-11-7-8(3-4-10(11)17)12-15-13(19-16-12)9(14)5-6-20-2/h3-4,7,9,16H,5-6,14H2,1-2H3/b12-8-