5-(furan-2-yl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyliminomethyl]cyclohexane-1,3-dione

Systemtic Name: 5-(furan-2-yl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyliminomethyl]cyclohexane-1,3-dione Openeye Name: 5-(2-furyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyliminomethyl]cyclohexane-1,3-dione CAS Name: 5-(2-furanyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyliminomethyl]cyclohexane-1,3-dione IUPAC Name: 5-(furan-2-yl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyliminomethyl]cyclohexane-1,3-dione Traditional Name: 5-(2-furyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyliminomethyl]cyclohexane-1,3-quinone Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCN=CC2C(=O)CC(CC2=O)C3=CC=CO3

Isomeric SMILES

CC1=C(N=CN1)CSCCN=CC2C(=O)CC(CC2=O)C3=CC=CO3

InChI

InChI=1S/C18H21N3O3S/c1-12-15(21-11-20-12)10-25-6-4-19-9-14-16(22)7-13(8-17(14)23)18-3-2-5-24-18/h2-3,5,9,11,13-14H,4,6-8,10H2,1H3,(H,20,21)