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

Systemtic Name: N-(5-acetamido-2-methyl-phenyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(5-acetamido-2-methyl-phenyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(5-acetamido-2-methylphenyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(5-acetamido-2-methylphenyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(5-acetamido-2-methyl-phenyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=C(C=CC(=C3)NC(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=C(C=CC(=C3)NC(=O)C)C

InChI

InChI=1S/C21H23N5O2S/c1-13-4-7-16(8-5-13)20-24-25-21(29)26(20)11-10-19(28)23-18-12-17(22-15(3)27)9-6-14(18)2/h4-9,12H,10-11H2,1-3H3,(H,22,27)(H,23,28)(H,25,29)