2-[3-[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanoate

Systemtic Name: 2-[3-[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanoate Openeye Name: 2-[3-[2-oxo-2-[2-(2-thienyl)ethylamino]ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]acetate CAS Name: 2-[3-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetate IUPAC Name: 2-[3-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetate Traditional Name: 2-[3-[[2-keto-2-[2-(2-thienyl)ethylamino]ethyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]acetate Formula: C16H15N4O3S3- MolecularWeight: 407.5103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCNC(=O)CSC2=NN=C(N2CC(=O)[O-])C3=CC=CS3

Isomeric SMILES

C1=CSC(=C1)CCNC(=O)CSC2=NN=C(N2CC(=O)[O-])C3=CC=CS3

InChI

InChI=1S/C16H16N4O3S3/c21-13(17-6-5-11-3-1-7-24-11)10-26-16-19-18-15(12-4-2-8-25-12)20(16)9-14(22)23/h1-4,7-8H,5-6,9-10H2,(H,17,21)(H,22,23)/p-1