N-[3-(phenylcarbamoylamino)phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-[3-(phenylcarbamoylamino)phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[3-(phenylcarbamoylamino)phenyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[3-[[anilino(oxo)methyl]amino]phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[3-(phenylcarbamoylamino)phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-[3-(phenylcarbamoylamino)phenyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C21H18N6O2S2 MolecularWeight: 450.53662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)NC(=O)CN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)NC(=O)CN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C21H18N6O2S2/c28-18(13-27-19(25-26-21(27)30)17-10-5-11-31-17)22-15-8-4-9-16(12-15)24-20(29)23-14-6-2-1-3-7-14/h1-12H,13H2,(H,22,28)(H,26,30)(H2,23,24,29)