3-[[3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoylamino]methyl]-N-methyl-benzamide

Systemtic Name: 3-[[3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoylamino]methyl]-N-methyl-benzamide Openeye Name: 3-[[3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]methyl]-N-methyl-benzamide CAS Name: 3-[[[3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxopropyl]amino]methyl]-N-methylbenzamide IUPAC Name: 3-[[3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoylamino]methyl]-N-methylbenzamide Traditional Name: N-methyl-3-[[3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propanoylamino]methyl]benzamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCC3=CC=CC(=C3)C(=O)NC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCC3=CC=CC(=C3)C(=O)NC

InChI

InChI=1S/C22H25N5O3S/c1-3-30-18-9-7-16(8-10-18)20-25-26-22(31)27(20)12-11-19(28)24-14-15-5-4-6-17(13-15)21(29)23-2/h4-10,13H,3,11-12,14H2,1-2H3,(H,23,29)(H,24,28)(H,26,31)