N-[[4-(3,4-dichlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[[4-(3,4-dichlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[4-(3,4-dichlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[4-(3,4-dichlorophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[4-(3,4-dichlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[4-(3,4-dichlorophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitro-benzamide Formula: C25H19Cl2N5O4S MolecularWeight: 556.42046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19Cl2N5O4S/c1-15-18(8-5-9-21(15)32(35)36)24(34)28-13-23-29-30-25(31(23)17-10-11-19(26)20(27)12-17)37-14-22(33)16-6-3-2-4-7-16/h2-12H,13-14H2,1H3,(H,28,34)