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

Systemtic Name: N-[1-[4-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[1-[4-(2,4-dichlorophenyl)-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[1-[4-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylthio]-1,2,4-triazol-3-yl]ethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[1-[4-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[1-[4-(2,4-dichlorophenyl)-5-[(2-methylbenzyl)thio]-1,2,4-triazol-3-yl]ethyl]-4-methyl-3-nitro-benzamide Formula: C26H23Cl2N5O3S MolecularWeight: 556.46352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(C)C2=NN=C(N2C3=C(C=C(C=C3)Cl)Cl)SCC4=CC=CC=C4C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(C)C2=NN=C(N2C3=C(C=C(C=C3)Cl)Cl)SCC4=CC=CC=C4C)[N+](=O)[O-]

InChI

InChI=1S/C26H23Cl2N5O3S/c1-15-6-4-5-7-19(15)14-37-26-31-30-24(32(26)22-11-10-20(27)13-21(22)28)17(3)29-25(34)18-9-8-16(2)23(12-18)33(35)36/h4-13,17H,14H2,1-3H3,(H,29,34)