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

Systemtic Name: 4-[2-[2-(3-chloranylphenoxy)ethyl-methyl-amino]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[2-(3-chlorophenoxy)ethyl-methyl-amino]-2-oxo-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[2-(3-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[2-(3-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-[2-(3-chlorophenoxy)ethyl-methyl-amino]-2-keto-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C17H16ClN4O2S2- MolecularWeight: 407.91754

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC(=CC=C1)Cl)C(=O)CN2C(=NN=C2[S-])C3=CC=CS3

Isomeric SMILES

CN(CCOC1=CC(=CC=C1)Cl)C(=O)CN2C(=NN=C2[S-])C3=CC=CS3

InChI

InChI=1S/C17H17ClN4O2S2/c1-21(7-8-24-13-5-2-4-12(18)10-13)15(23)11-22-16(19-20-17(22)25)14-6-3-9-26-14/h2-6,9-10H,7-8,11H2,1H3,(H,20,25)/p-1