2-cyanoethyl-[[5-[(2-methoxyphenyl)sulfamoyl]-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl]-methyl-azanium

Systemtic Name: 2-cyanoethyl-[[5-[(2-methoxyphenyl)sulfamoyl]-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl]-methyl-azanium Openeye Name: 2-cyanoethyl-[[5-[(2-methoxyphenyl)sulfamoyl]-2-thioxo-1,3-benzoxazol-3-yl]methyl]-methyl-ammonium CAS Name: 2-cyanoethyl-[[5-[(2-methoxyphenyl)sulfamoyl]-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl]-methylammonium IUPAC Name: 2-cyanoethyl-[[5-[(2-methoxyphenyl)sulfamoyl]-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl]-methylazanium Traditional Name: 2-cyanoethyl-[[5-[(2-methoxyphenyl)sulfamoyl]-2-thioxo-1,3-benzoxazol-3-yl]methyl]-methyl-ammonium Formula: C19H21N4O4S2+ MolecularWeight: 433.52444

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC#N)CN1C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3OC)OC1=S

Isomeric SMILES

C[NH+](CCC#N)CN1C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3OC)OC1=S

InChI

InChI=1S/C19H20N4O4S2/c1-22(11-5-10-20)13-23-16-12-14(8-9-18(16)27-19(23)28)29(24,25)21-15-6-3-4-7-17(15)26-2/h3-4,6-9,12,21H,5,11,13H2,1-2H3/p+1