2-(4-chloranylphenoxy)-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone

Systemtic Name: 2-(4-chloranylphenoxy)-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone Openeye Name: 2-(4-chlorophenoxy)-1-[3-phenyl-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]ethanone CAS Name: 2-(4-chlorophenoxy)-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone IUPAC Name: 2-(4-chlorophenoxy)-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone Traditional Name: 2-(4-chlorophenoxy)-1-[3-phenyl-5-(2-thenylamino)-1,2,4-triazol-1-yl]ethanone Formula: C21H17ClN4O2S MolecularWeight: 424.90328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)COC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN4O2S/c22-16-8-10-17(11-9-16)28-14-19(27)26-21(23-13-18-7-4-12-29-18)24-20(25-26)15-5-2-1-3-6-15/h1-12H,13-14H2,(H,23,24,25)