1-methyl-2-[(4-methylsulfonylphenyl)methylsulfanyl]imidazole; sulfane

Systemtic Name: 1-methyl-2-[(4-methylsulfonylphenyl)methylsulfanyl]imidazole; sulfane Openeye Name: hydrogen sulfide; 1-methyl-2-[(4-methylsulfonylphenyl)methylsulfanyl]imidazole CAS Name: 1-methyl-2-[(4-methylsulfonylphenyl)methylthio]imidazole; sulfane IUPAC Name: 1-methyl-2-[(4-methylsulfonylphenyl)methylsulfanyl]imidazole; sulfane Traditional Name: hydrogen sulfide; 2-[(4-mesylbenzyl)thio]-1-methyl-imidazole Formula: C24H30N4O4S5 MolecularWeight: 598.8444

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=CC=C(C=C2)S(=O)(=O)C.CN1C=CN=C1SCC2=CC=C(C=C2)S(=O)(=O)C.S

Isomeric SMILES

CN1C=CN=C1SCC2=CC=C(C=C2)S(=O)(=O)C.CN1C=CN=C1SCC2=CC=C(C=C2)S(=O)(=O)C.S

InChI

InChI=1S/2C12H14N2O2S2.H2S/c2*1-14-8-7-13-12(14)17-9-10-3-5-11(6-4-10)18(2,15)16;/h2*3-8H,9H2,1-2H3;1H2