N-(5-acetamido-2-methyl-phenyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide

Systemtic Name: N-(5-acetamido-2-methyl-phenyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(5-acetamido-2-methyl-phenyl)-3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(5-acetamido-2-methylphenyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(5-acetamido-2-methylphenyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(5-acetamido-2-methyl-phenyl)-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide 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)NC3=C(C=CC(=C3)NC(=O)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=C(C=CC(=C3)NC(=O)C)C

InChI

InChI=1S/C22H25N5O3S/c1-4-30-18-9-6-16(7-10-18)21-25-26-22(31)27(21)12-11-20(29)24-19-13-17(23-15(3)28)8-5-14(19)2/h5-10,13H,4,11-12H2,1-3H3,(H,23,28)(H,24,29)(H,26,31)