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

Systemtic Name: 4-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-[4-(4-cyanobenzyl)piperazino]-2-keto-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C20H19N6OS2- MolecularWeight: 423.53446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CN3C(=NN=C3[S-])C4=CC=CS4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CN3C(=NN=C3[S-])C4=CC=CS4

InChI

InChI=1S/C20H20N6OS2/c21-12-15-3-5-16(6-4-15)13-24-7-9-25(10-8-24)18(27)14-26-19(22-23-20(26)28)17-2-1-11-29-17/h1-6,11H,7-10,13-14H2,(H,23,28)/p-1