2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)propanamide

Systemtic Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)propanamide Openeye Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide CAS Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(3-sulfamoylphenyl)propanamide IUPAC Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)propanamide Traditional Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(3-sulfamoylphenyl)propionamide Formula: C18H19N5O3S3 MolecularWeight: 449.57016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)SC2=NN=C(N2C3CC3)C4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)SC2=NN=C(N2C3CC3)C4=CC=CS4

InChI

InChI=1S/C18H19N5O3S3/c1-11(17(24)20-12-4-2-5-14(10-12)29(19,25)26)28-18-22-21-16(15-6-3-9-27-15)23(18)13-7-8-13/h2-6,9-11,13H,7-8H2,1H3,(H,20,24)(H2,19,25,26)