N-[[4-(2,6-diethylphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide

Systemtic Name: N-[[4-(2,6-diethylphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-(2,6-diethylphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-(2,6-diethylphenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[4-(2,6-diethylphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-(2,6-diethylphenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H28N4O2S/c1-5-16-9-8-10-17(6-2)21(16)27-20(25-26-23(27)30-7-3)15-24-22(28)18-11-13-19(29-4)14-12-18/h8-14H,5-7,15H2,1-4H3,(H,24,28)