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

Systemtic Name: N-[[4-(5-chloranyl-2-methyl-phenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[[4-(5-chloro-2-methyl-phenyl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[4-(5-chloro-2-methylphenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[[4-(5-chloro-2-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[[4-(5-chloro-2-methyl-phenyl)-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitro-benzamide Formula: C26H24ClN5O3S MolecularWeight: 522.01846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=C(C=CC(=C3)Cl)C)CNC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=C(C=CC(=C3)Cl)C)CNC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C26H24ClN5O3S/c1-16-5-4-6-19(11-16)15-36-26-30-29-24(31(26)22-13-21(27)10-8-17(22)2)14-28-25(33)20-9-7-18(3)23(12-20)32(34)35/h4-13H,14-15H2,1-3H3,(H,28,33)