N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-propyl-benzenesulfonamide

Systemtic Name: N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-propyl-benzenesulfonamide Openeye Name: N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-propyl-benzenesulfonamide CAS Name: N-[[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-4-propylbenzenesulfonamide IUPAC Name: N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-propylbenzenesulfonamide Traditional Name: N-[[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-4-propyl-benzenesulfonamide Formula: C14H20N4O2S2 MolecularWeight: 340.4642

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NCC2=NN=C(N2C)SC

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NCC2=NN=C(N2C)SC

InChI

InChI=1S/C14H20N4O2S2/c1-4-5-11-6-8-12(9-7-11)22(19,20)15-10-13-16-17-14(21-3)18(13)2/h6-9,15H,4-5,10H2,1-3H3