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

Systemtic Name: 3,4,5-triethoxy-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]benzamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3,4,5-triethoxy-benzamide CAS Name: 3,4,5-triethoxy-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]benzamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3,4,5-triethoxybenzamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-3,4,5-triethoxy-benzamide Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NN2C(=NN=C2SCC3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NN2C(=NN=C2SCC3=CC=CC=C3)C

InChI

InChI=1S/C23H28N4O4S/c1-5-29-19-13-18(14-20(30-6-2)21(19)31-7-3)22(28)26-27-16(4)24-25-23(27)32-15-17-11-9-8-10-12-17/h8-14H,5-7,15H2,1-4H3,(H,26,28)