4-[3-[(2-methoxyphenyl)amino]-3-oxidanylidene-propyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[3-[(2-methoxyphenyl)amino]-3-oxidanylidene-propyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[3-(2-methoxyanilino)-3-oxo-propyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[3-(2-methoxyanilino)-3-oxopropyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[3-(2-methoxyanilino)-3-oxopropyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[3-keto-3-(o-anisidino)propyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C16H15N4O2S2- MolecularWeight: 359.4459

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CCN2C(=NN=C2[S-])C3=CC=CS3

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CCN2C(=NN=C2[S-])C3=CC=CS3

InChI

InChI=1S/C16H16N4O2S2/c1-22-12-6-3-2-5-11(12)17-14(21)8-9-20-15(18-19-16(20)23)13-7-4-10-24-13/h2-7,10H,8-9H2,1H3,(H,17,21)(H,19,23)/p-1