1-[4-(phenylmethyl)piperazin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Traditional Name: 1-(4-benzylpiperazino)-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H25N5OS/c1-2-6-16-19-20-18(25)23(16)14-17(24)22-11-9-21(10-12-22)13-15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3,(H,20,25)