N-(4-phenylmethoxyphenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-(4-phenylmethoxyphenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-(4-benzyloxyphenyl)-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-(4-phenylmethoxyphenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-(4-phenylmethoxyphenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-(4-benzoxyphenyl)-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C21H18N4O2S2/c26-19(13-25-20(23-24-21(25)28)18-7-4-12-29-18)22-16-8-10-17(11-9-16)27-14-15-5-2-1-3-6-15/h1-12H,13-14H2,(H,22,26)(H,24,28)