N-[[4-(2,5-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide

Systemtic Name: N-[[4-(2,5-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-(2,5-dimethylphenyl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-(2,5-dimethylphenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[4-(2,5-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-(2,5-dimethylphenyl)-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=C(C=CC(=C3)C)C)CNC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=C(C=CC(=C3)C)C)CNC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H28N4O2S/c1-18-6-5-7-21(14-18)17-34-27-30-29-25(31(27)24-15-19(2)8-9-20(24)3)16-28-26(32)22-10-12-23(33-4)13-11-22/h5-15H,16-17H2,1-4H3,(H,28,32)