4-[[5-azanyl-1-(3-pyrrol-1-ylthiophen-2-yl)carbonyl-1,2,4-triazol-3-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[5-azanyl-1-(3-pyrrol-1-ylthiophen-2-yl)carbonyl-1,2,4-triazol-3-yl]amino]benzenesulfonamide Openeye Name: 4-[[5-amino-1-(3-pyrrol-1-ylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide CAS Name: 4-[[5-amino-1-[oxo-[3-(1-pyrrolyl)-2-thiophenyl]methyl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide IUPAC Name: 4-[[5-amino-1-(3-pyrrol-1-ylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide Traditional Name: 4-[[5-amino-1-(3-pyrrol-1-ylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide Formula: C17H15N7O3S2 MolecularWeight: 429.4761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=C(SC=C2)C(=O)N3C(=NC(=N3)NC4=CC=C(C=C4)S(=O)(=O)N)N

Isomeric SMILES

C1=CN(C=C1)C2=C(SC=C2)C(=O)N3C(=NC(=N3)NC4=CC=C(C=C4)S(=O)(=O)N)N

InChI

InChI=1S/C17H15N7O3S2/c18-16-21-17(20-11-3-5-12(6-4-11)29(19,26)27)22-24(16)15(25)14-13(7-10-28-14)23-8-1-2-9-23/h1-10H,(H2,19,26,27)(H3,18,20,21,22)