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

Systemtic Name: N-[[4-(2,6-diethylphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-(2,6-diethylphenyl)-5-isopropylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-(2,6-diethylphenyl)-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[4-(2,6-diethylphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-(2,6-diethylphenyl)-5-(isopropylthio)-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:

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SC(C)C)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SC(C)C)CNC(=O)C3=CC=C(C=C3)OC

InChI

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