4-[3-oxidanylidene-3-(quinolin-8-ylamino)propyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[3-oxidanylidene-3-(quinolin-8-ylamino)propyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[3-oxo-3-(8-quinolylamino)propyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[3-oxo-3-(8-quinolinylamino)propyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[3-oxo-3-(quinolin-8-ylamino)propyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[3-keto-3-(8-quinolylamino)propyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C18H14N5OS2- MolecularWeight: 380.46666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=O)CCN3C(=NN=C3[S-])C4=CC=CS4)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=O)CCN3C(=NN=C3[S-])C4=CC=CS4)N=CC=C2

InChI

InChI=1S/C18H15N5OS2/c24-15(20-13-6-1-4-12-5-2-9-19-16(12)13)8-10-23-17(21-22-18(23)25)14-7-3-11-26-14/h1-7,9,11H,8,10H2,(H,20,24)(H,22,25)/p-1