4-chloranyl-N-[(1S)-1-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-ethyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(1S)-1-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-ethyl]benzenesulfonamide Openeye Name: N-[(1S)-1-(5-allylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-2-phenyl-ethyl]-4-chloro-benzenesulfonamide CAS Name: 4-chloro-N-[(1S)-1-[4-methyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]-2-phenylethyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[(1S)-1-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-2-phenylethyl]benzenesulfonamide Traditional Name: N-[(1S)-1-[5-(allylthio)-4-methyl-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-4-chloro-benzenesulfonamide Formula: C20H21ClN4O2S2 MolecularWeight: 448.98934

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC=C)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=NN=C1SCC=C)[C@H](CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN4O2S2/c1-3-13-28-20-23-22-19(25(20)2)18(14-15-7-5-4-6-8-15)24-29(26,27)17-11-9-16(21)10-12-17/h3-12,18,24H,1,13-14H2,2H3/t18-/m0/s1