N-[4-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide Openeye Name: N-[4-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]phenyl]furan-2-carboxamide CAS Name: N-[4-[[1-oxo-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide Traditional Name: N-[4-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]phenyl]-2-furamide Formula: C20H17N5O3S2 MolecularWeight: 439.51068

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

C1=COC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C20H17N5O3S2/c26-17(9-10-25-18(23-24-20(25)29)16-4-2-12-30-16)21-13-5-7-14(8-6-13)22-19(27)15-3-1-11-28-15/h1-8,11-12H,9-10H2,(H,21,26)(H,22,27)(H,24,29)