4-butoxy-N-[[5-ethylsulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 4-butoxy-N-[[5-ethylsulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-butoxy-N-[[5-ethylsulfanyl-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-butoxy-N-[[5-(ethylthio)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-butoxy-N-[[5-ethylsulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-butoxy-N-[[5-(ethylthio)-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC(=C3)C)SCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC(=C3)C)SCC

InChI

InChI=1S/C23H28N4O2S/c1-4-6-14-29-20-12-10-18(11-13-20)22(28)24-16-21-25-26-23(30-5-2)27(21)19-9-7-8-17(3)15-19/h7-13,15H,4-6,14,16H2,1-3H3,(H,24,28)