(Z)-1-ethylsulfanylethylimino-[[4-(1H-imidazol-5-yl)-2-methyl-phenyl]amino]methanesulfonic acid

Systemtic Name: (Z)-1-ethylsulfanylethylimino-[[4-(1H-imidazol-5-yl)-2-methyl-phenyl]amino]methanesulfonic acid Openeye Name: (Z)-1-ethylsulfanylethylimino-[4-(1H-imidazol-5-yl)-2-methyl-anilino]methanesulfonic acid CAS Name: (Z)-1-(ethylthio)ethylimino-[4-(1H-imidazol-5-yl)-2-methylanilino]methanesulfonic acid IUPAC Name: (Z)-1-ethylsulfanylethylimino-[4-(1H-imidazol-5-yl)-2-methylanilino]methanesulfonic acid Traditional Name: (Z)-1-(ethylthio)ethylimino-[4-(1H-imidazol-5-yl)-2-methyl-anilino]methanesulfonic acid Formula: C15H20N4O3S2 MolecularWeight: 368.4743

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)N=C(NC1=C(C=C(C=C1)C2=CN=CN2)C)S(=O)(=O)O

Isomeric SMILES

CCSC(C)/N=C(/NC1=C(C=C(C=C1)C2=CN=CN2)C)\S(=O)(=O)O

InChI

InChI=1S/C15H20N4O3S2/c1-4-23-11(3)18-15(24(20,21)22)19-13-6-5-12(7-10(13)2)14-8-16-9-17-14/h5-9,11H,4H2,1-3H3,(H,16,17)(H,18,19)(H,20,21,22)