ethyl 4-[3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCN2C(=NNC2=S)C3=CC(=CC=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCN2C(=NNC2=S)C3=CC(=CC=C3)C

InChI

InChI=1S/C19H25N5O3S/c1-3-27-19(26)23-11-9-22(10-12-23)16(25)7-8-24-17(20-21-18(24)28)15-6-4-5-14(2)13-15/h4-6,13H,3,7-12H2,1-2H3,(H,21,28)