1-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[[4-(4-acetylphenyl)-1-piperazinyl]methyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[[4-(4-acetylphenyl)piperazino]methyl]-4-(2-thienyl)tetrazol-5-one Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CN3C(=O)N(N=N3)C4=CC=CS4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CN3C(=O)N(N=N3)C4=CC=CS4

InChI

InChI=1S/C18H20N6O2S/c1-14(25)15-4-6-16(7-5-15)22-10-8-21(9-11-22)13-23-18(26)24(20-19-23)17-3-2-12-27-17/h2-7,12H,8-11,13H2,1H3