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

Systemtic Name: N-[[4-(2,6-diethylphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-(2,6-diethylphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-(2,6-diethylphenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[4-(2,6-diethylphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-(2,6-diethylphenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1C2=C(C=CC=C2CC)CC)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCSC1=NN=C(N1C2=C(C=CC=C2CC)CC)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H30N4O2S/c1-5-15-31-24-27-26-21(16-25-23(29)19-11-13-20(30-4)14-12-19)28(24)22-17(6-2)9-8-10-18(22)7-3/h8-14H,5-7,15-16H2,1-4H3,(H,25,29)