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

Systemtic Name: 4-methoxy-N-[[4-(phenylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[(4-benzyl-5-benzylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-benzamide CAS Name: 4-methoxy-N-[[4-(phenylmethyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[(4-benzyl-5-benzylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide Traditional Name: N-[[4-benzyl-5-(benzylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C25H24N4O2S/c1-31-22-14-12-21(13-15-22)24(30)26-16-23-27-28-25(32-18-20-10-6-3-7-11-20)29(23)17-19-8-4-2-5-9-19/h2-15H,16-18H2,1H3,(H,26,30)