(4-propylpiperazin-1-yl)-[2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone

Systemtic Name: (4-propylpiperazin-1-yl)-[2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone Openeye Name: (4-propylpiperazin-1-yl)-[2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone CAS Name: (4-propyl-1-piperazinyl)-[2-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methanone IUPAC Name: (4-propylpiperazin-1-yl)-[2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone Traditional Name: (4-propylpiperazino)-[2-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methanone Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=O)C2=CC=CC=C2CSC3=NC=NN3

Isomeric SMILES

CCCN1CCN(CC1)C(=O)C2=CC=CC=C2CSC3=NC=NN3

InChI

InChI=1S/C17H23N5OS/c1-2-7-21-8-10-22(11-9-21)16(23)15-6-4-3-5-14(15)12-24-17-18-13-19-20-17/h3-6,13H,2,7-12H2,1H3,(H,18,19,20)