N-phenyl-4-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazine-1-carboxamide

Systemtic Name: N-phenyl-4-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazine-1-carboxamide Openeye Name: N-phenyl-4-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazine-1-carboxamide CAS Name: 4-[1-oxo-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: N-phenyl-4-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazine-1-carboxamide Traditional Name: N-phenyl-4-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetyl]piperazine-1-carboxamide Formula: C18H24N6O2S MolecularWeight: 388.48716

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H24N6O2S/c1-2-6-15-20-17(22-21-15)27-13-16(25)23-9-11-24(12-10-23)18(26)19-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3,(H,19,26)(H,20,21,22)