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

Systemtic Name: N-[(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-benzamide Openeye Name: N-[(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-benzamide CAS Name: N-[[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide Traditional Name: N-[[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22N4O3S/c1-3-25-19(13-22-20(27)16-9-11-17(28-2)12-10-16)23-24-21(25)29-14-18(26)15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3,(H,22,27)