4-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-keto-2-(4-p-anisylpiperazino)ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C20H22N5O2S2- MolecularWeight: 428.55098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CN3C(=NN=C3[S-])C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CN3C(=NN=C3[S-])C4=CC=CS4

InChI

InChI=1S/C20H23N5O2S2/c1-27-16-6-4-15(5-7-16)13-23-8-10-24(11-9-23)18(26)14-25-19(21-22-20(25)28)17-3-2-12-29-17/h2-7,12H,8-11,13-14H2,1H3,(H,22,28)/p-1