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

Systemtic Name: 3,4,5-trimethoxy-N-[[5-methylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-3,4,5-trimethoxy-benzamide CAS Name: 3,4,5-trimethoxy-N-[[5-(methylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[[4-benzyl-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-3,4,5-trimethoxy-benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NN=C(N2CC3=CC=CC=C3)SC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NN=C(N2CC3=CC=CC=C3)SC

InChI

InChI=1S/C21H24N4O4S/c1-27-16-10-15(11-17(28-2)19(16)29-3)20(26)22-12-18-23-24-21(30-4)25(18)13-14-8-6-5-7-9-14/h5-11H,12-13H2,1-4H3,(H,22,26)