3-[1-[(4-cyanophenyl)methyl]-5-oxidanylidene-4-thiophen-2-yl-1,2,4-triazol-3-yl]-N,N-dimethyl-piperidine-1-sulfonamide

Systemtic Name: 3-[1-[(4-cyanophenyl)methyl]-5-oxidanylidene-4-thiophen-2-yl-1,2,4-triazol-3-yl]-N,N-dimethyl-piperidine-1-sulfonamide Openeye Name: 3-[1-[(4-cyanophenyl)methyl]-5-oxo-4-(2-thienyl)-1,2,4-triazol-3-yl]-N,N-dimethyl-piperidine-1-sulfonamide CAS Name: 3-[1-[(4-cyanophenyl)methyl]-5-oxo-4-thiophen-2-yl-1,2,4-triazol-3-yl]-N,N-dimethyl-1-piperidinesulfonamide IUPAC Name: 3-[1-[(4-cyanophenyl)methyl]-5-oxo-4-thiophen-2-yl-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide Traditional Name: 3-[1-(4-cyanobenzyl)-5-keto-4-(2-thienyl)-1,2,4-triazol-3-yl]-N,N-dimethyl-piperidine-1-sulfonamide Formula: C21H24N6O3S2 MolecularWeight: 472.58366

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CCCC(C1)C2=NN(C(=O)N2C3=CC=CS3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CN(C)S(=O)(=O)N1CCCC(C1)C2=NN(C(=O)N2C3=CC=CS3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H24N6O3S2/c1-24(2)32(29,30)25-11-3-5-18(15-25)20-23-26(14-17-9-7-16(13-22)8-10-17)21(28)27(20)19-6-4-12-31-19/h4,6-10,12,18H,3,5,11,14-15H2,1-2H3