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

Systemtic Name: N-methyl-4-[3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoylamino]benzamide Openeye Name: N-methyl-4-[3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]benzamide CAS Name: N-methyl-4-[[3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxopropyl]amino]benzamide IUPAC Name: N-methyl-4-[3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoylamino]benzamide Traditional Name: N-methyl-4-[3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]benzamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2S/c1-13-4-3-5-15(12-13)18-23-24-20(28)25(18)11-10-17(26)22-16-8-6-14(7-9-16)19(27)21-2/h3-9,12H,10-11H2,1-2H3,(H,21,27)(H,22,26)(H,24,28)