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

Systemtic Name: N-[(5-butylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-benzamide Openeye Name: N-[(5-butylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-benzamide CAS Name: N-[[5-(butylthio)-4-phenethyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[(5-butylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide Traditional Name: N-[[5-(butylthio)-4-phenethyl-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:

CCCCSC1=NN=C(N1CCC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCSC1=NN=C(N1CCC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

InChI

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