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

Systemtic Name: 3,4-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3,4-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione CAS Name: 3,4-bis[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3,4-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3,4-bis[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]cyclobut-3-ene-1,2-quinone Formula: C18H24N6O2S2 MolecularWeight: 420.55216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=C(C(=O)C2=O)NCCSCC3=C(NC=N3)C

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=C(C(=O)C2=O)NCCSCC3=C(NC=N3)C

InChI

InChI=1S/C18H24N6O2S2/c1-11-13(23-9-21-11)7-27-5-3-19-15-16(18(26)17(15)25)20-4-6-28-8-14-12(2)22-10-24-14/h9-10,19-20H,3-8H2,1-2H3,(H,21,23)(H,22,24)