4-[[5-azanyl-1-(5-ethylthiophen-2-yl)carbonyl-1,2,4-triazol-3-yl]amino]-N-methyl-benzenesulfonamide

Systemtic Name: 4-[[5-azanyl-1-(5-ethylthiophen-2-yl)carbonyl-1,2,4-triazol-3-yl]amino]-N-methyl-benzenesulfonamide Openeye Name: 4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-methyl-benzenesulfonamide CAS Name: 4-[[5-amino-1-[(5-ethyl-2-thiophenyl)-oxomethyl]-1,2,4-triazol-3-yl]amino]-N-methylbenzenesulfonamide IUPAC Name: 4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-methylbenzenesulfonamide Traditional Name: 4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-methyl-benzenesulfonamide Formula: C16H18N6O3S2 MolecularWeight: 406.48252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(=O)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)NC)N

Isomeric SMILES

CCC1=CC=C(S1)C(=O)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)NC)N

InChI

InChI=1S/C16H18N6O3S2/c1-3-11-6-9-13(26-11)14(23)22-15(17)20-16(21-22)19-10-4-7-12(8-5-10)27(24,25)18-2/h4-9,18H,3H2,1-2H3,(H3,17,19,20,21)