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

Systemtic Name: N-[[4-(2,5-dimethylphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-(2,5-dimethylphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-(2,5-dimethylphenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[4-(2,5-dimethylphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-(2,5-dimethylphenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1C2=C(C=CC(=C2)C)C)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCSC1=NN=C(N1C2=C(C=CC(=C2)C)C)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N4O2S/c1-5-12-29-22-25-24-20(26(22)19-13-15(2)6-7-16(19)3)14-23-21(27)17-8-10-18(28-4)11-9-17/h6-11,13H,5,12,14H2,1-4H3,(H,23,27)