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

Systemtic Name: N,N-dimethyl-3-[3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoylamino]benzamide Openeye Name: N,N-dimethyl-3-[3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]benzamide CAS Name: N,N-dimethyl-3-[[3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxopropyl]amino]benzamide IUPAC Name: N,N-dimethyl-3-[3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoylamino]benzamide Traditional Name: N,N-dimethyl-3-[3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]benzamide 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=CC=CC(=C3)C(=O)N(C)C

Isomeric SMILES

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

InChI

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