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

Systemtic Name: 4-methyl-N-[[4-(4-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Openeye Name: N-[[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-4-methyl-benzenesulfonamide CAS Name: 4-methyl-N-[[4-(4-nitrophenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide IUPAC Name: N-[[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide Traditional Name: N-[[5-(benzylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-4-methyl-benzenesulfonamide Formula: C23H21N5O4S2 MolecularWeight: 495.57394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=CC=C4

InChI

InChI=1S/C23H21N5O4S2/c1-17-7-13-21(14-8-17)34(31,32)24-15-22-25-26-23(33-16-18-5-3-2-4-6-18)27(22)19-9-11-20(12-10-19)28(29)30/h2-14,24H,15-16H2,1H3