N-[(5-butan-2-ylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-benzamide

Systemtic Name: N-[(5-butan-2-ylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-benzamide Openeye Name: 4-methoxy-N-[(4-phenethyl-5-sec-butylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide CAS Name: N-[[5-(butan-2-ylthio)-4-phenethyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[(5-butan-2-ylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide Traditional Name: 4-methoxy-N-[[4-phenethyl-5-(sec-butylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(N1CCC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC(C)SC1=NN=C(N1CCC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H28N4O2S/c1-4-17(2)30-23-26-25-21(27(23)15-14-18-8-6-5-7-9-18)16-24-22(28)19-10-12-20(29-3)13-11-19/h5-13,17H,4,14-16H2,1-3H3,(H,24,28)