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

Systemtic Name: 1-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Openeye Name: 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone CAS Name: 1-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone IUPAC Name: 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Traditional Name: 1-[4-(4-ethylbenzoyl)piperazino]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O2S/c1-3-5-17-21-22-20(28)25(17)14-18(26)23-10-12-24(13-11-23)19(27)16-8-6-15(4-2)7-9-16/h6-9H,3-5,10-14H2,1-2H3,(H,22,28)