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

Systemtic Name: N-[[4-(2,5-dimethylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-(2,5-dimethylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-(2,5-dimethylphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[4-(2,5-dimethylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-(2,5-dimethylphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H26N4O3S/c1-18-9-10-19(2)23(15-18)31-25(16-28-26(33)21-11-13-22(34-3)14-12-21)29-30-27(31)35-17-24(32)20-7-5-4-6-8-20/h4-15H,16-17H2,1-3H3,(H,28,33)