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

Systemtic Name: N-(4-phenylmethoxyphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-benzyloxyphenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-phenylmethoxyphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-phenylmethoxyphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-benzoxyphenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]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)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)C4=CC=CS4

InChI

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