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

Systemtic Name: N-[4-[[5-azanyl-1-(5-ethylthiophen-2-yl)carbonyl-1,2,4-triazol-3-yl]amino]phenyl]methanesulfonamide Openeye Name: N-[4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]phenyl]methanesulfonamide CAS Name: N-[4-[[5-amino-1-[(5-ethyl-2-thiophenyl)-oxomethyl]-1,2,4-triazol-3-yl]amino]phenyl]methanesulfonamide IUPAC Name: N-[4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]phenyl]methanesulfonamide Traditional Name: N-[4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]phenyl]methanesulfonamide 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)NS(=O)(=O)C)N

Isomeric SMILES

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

InChI

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