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

Systemtic Name: 1-[3,5-bis(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[3,5-bis(2-thienylmethylamino)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone CAS Name: 1-[3,5-bis(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-phenoxyethanone IUPAC Name: 1-[3,5-bis(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-phenoxyethanone Traditional Name: 1-[3,5-bis(2-thenylamino)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Formula: C20H19N5O2S2 MolecularWeight: 425.52716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)N2C(=NC(=N2)NCC3=CC=CS3)NCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)N2C(=NC(=N2)NCC3=CC=CS3)NCC4=CC=CS4

InChI

InChI=1S/C20H19N5O2S2/c26-18(14-27-15-6-2-1-3-7-15)25-20(22-13-17-9-5-11-29-17)23-19(24-25)21-12-16-8-4-10-28-16/h1-11H,12-14H2,(H2,21,22,23,24)