3-[[4-azanyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[[4-azanyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[[4-amino-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[[4-amino-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[[4-amino-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[[[4-amino-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-N,N-dimethyl-benzenesulfonamide Formula: C21H27N5O3S2 MolecularWeight: 461.60078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CC(=CC=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CC(=CC=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C21H27N5O3S2/c1-15(2)17-8-10-18(11-9-17)29-13-20-23-24-21(26(20)22)30-14-16-6-5-7-19(12-16)31(27,28)25(3)4/h5-12,15H,13-14,22H2,1-4H3