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

Systemtic Name: N-[[5-butylsulfanyl-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[5-butylsulfanyl-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[5-(butylthio)-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[5-butylsulfanyl-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[5-(butylthio)-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=C(C=CC=C2CC)CC)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCSC1=NN=C(N1C2=C(C=CC=C2CC)CC)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H32N4O2S/c1-5-8-16-32-25-28-27-22(17-26-24(30)20-12-14-21(31-4)15-13-20)29(25)23-18(6-2)10-9-11-19(23)7-3/h9-15H,5-8,16-17H2,1-4H3,(H,26,30)