N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-propoxy-benzenesulfonamide

Systemtic Name: N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-propoxy-benzenesulfonamide Openeye Name: N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-propoxy-benzenesulfonamide CAS Name: N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-4-propoxybenzenesulfonamide IUPAC Name: N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-propoxybenzenesulfonamide Traditional Name: N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-4-propoxy-benzenesulfonamide Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SC3=NN=CN3C

Isomeric SMILES

CCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SC3=NN=CN3C

InChI

InChI=1S/C18H20N4O3S2/c1-3-12-25-15-6-10-17(11-7-15)27(23,24)21-14-4-8-16(9-5-14)26-18-20-19-13-22(18)2/h4-11,13,21H,3,12H2,1-2H3