3-methoxy-4-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-methoxy-4-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-methoxy-4-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-methoxy-4-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-methoxy-4-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-methoxy-4-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]cyclobut-3-ene-1,2-quinone Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=C(C(=O)C2=O)OC

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=C(C(=O)C2=O)OC

InChI

InChI=1S/C12H15N3O3S/c1-7-8(15-6-14-7)5-19-4-3-13-9-10(16)11(17)12(9)18-2/h6,13H,3-5H2,1-2H3,(H,14,15)