N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide

Systemtic Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide Openeye Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide CAS Name: N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide IUPAC Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide Traditional Name: N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC(=CC=C3)OC)SCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC(=CC=C3)OC)SCCC4=CC=CC=C4

InChI

InChI=1S/C26H26N4O2S/c1-19-11-13-21(14-12-19)25(31)27-18-24-28-29-26(33-16-15-20-7-4-3-5-8-20)30(24)22-9-6-10-23(17-22)32-2/h3-14,17H,15-16,18H2,1-2H3,(H,27,31)