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

Systemtic Name: 4-[3-[(4-ethanoylphenyl)amino]-3-oxidanylidene-propyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[3-(4-acetylanilino)-3-oxo-propyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[3-(4-acetylanilino)-3-oxopropyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[3-(4-acetylanilino)-3-oxopropyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[3-(4-acetylanilino)-3-keto-propyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C17H15N4O2S2- MolecularWeight: 371.4566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=NN=C2[S-])C3=CC=CS3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=NN=C2[S-])C3=CC=CS3

InChI

InChI=1S/C17H16N4O2S2/c1-11(22)12-4-6-13(7-5-12)18-15(23)8-9-21-16(19-20-17(21)24)14-3-2-10-25-14/h2-7,10H,8-9H2,1H3,(H,18,23)(H,20,24)/p-1