phenyl 4-[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoyl]piperazine-1-carboxylate

Systemtic Name: phenyl 4-[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoyl]piperazine-1-carboxylate Openeye Name: phenyl 4-[2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetyl]piperazine-1-carboxylic acid phenyl ester Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)N2CCN(CC2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)N2CCN(CC2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O3S/c1-2-6-15-19-20-17(27)23(15)13-16(24)21-9-11-22(12-10-21)18(25)26-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3,(H,20,27)