2-[4-[[4-(3-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[[4-(3-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[[4-(3-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[4-(3-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[[4-(3-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[[4-(3-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]-1-piperidino-ethanone Formula: C21H30N6O2S MolecularWeight: 430.5669

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=NN(C2=S)CN3CCN(CC3)CC(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN(C2=S)CN3CCN(CC3)CC(=O)N4CCCCC4

InChI

InChI=1S/C21H30N6O2S/c1-29-19-7-5-6-18(14-19)26-16-22-27(21(26)30)17-24-12-10-23(11-13-24)15-20(28)25-8-3-2-4-9-25/h5-7,14,16H,2-4,8-13,15,17H2,1H3