4-[2-oxidanylidene-2-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-oxidanylidene-2-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[[3-(isopropylsulfamoyl)phenyl]methylamino]-2-oxo-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-oxo-2-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-oxo-2-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-[[3-(isopropylsulfamoyl)benzyl]amino]-2-keto-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C18H20N5O3S3- MolecularWeight: 450.5781

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC=CC(=C1)CNC(=O)CN2C(=NN=C2[S-])C3=CC=CS3

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC=CC(=C1)CNC(=O)CN2C(=NN=C2[S-])C3=CC=CS3

InChI

InChI=1S/C18H21N5O3S3/c1-12(2)22-29(25,26)14-6-3-5-13(9-14)10-19-16(24)11-23-17(20-21-18(23)27)15-7-4-8-28-15/h3-9,12,22H,10-11H2,1-2H3,(H,19,24)(H,21,27)/p-1