N,N-diethyl-4-[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoyl]piperazine-1-carboxamide

Systemtic Name: N,N-diethyl-4-[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoyl]piperazine-1-carboxamide Openeye Name: N,N-diethyl-4-[2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]piperazine-1-carboxamide CAS Name: N,N-diethyl-4-[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxoethyl]-1-piperazinecarboxamide IUPAC Name: N,N-diethyl-4-[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]piperazine-1-carboxamide Traditional Name: N,N-diethyl-4-[2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]piperazine-1-carboxamide Formula: C20H28N6O2S MolecularWeight: 416.54032

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1CCN(CC1)C(=O)CN2C(=NNC2=S)C3=CC(=CC=C3)C

Isomeric SMILES

CCN(CC)C(=O)N1CCN(CC1)C(=O)CN2C(=NNC2=S)C3=CC(=CC=C3)C

InChI

InChI=1S/C20H28N6O2S/c1-4-23(5-2)20(28)25-11-9-24(10-12-25)17(27)14-26-18(21-22-19(26)29)16-8-6-7-15(3)13-16/h6-8,13H,4-5,9-12,14H2,1-3H3,(H,22,29)