2-methoxy-1-[5-[(4-phenylmethoxyphenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]ethanone

Systemtic Name: 2-methoxy-1-[5-[(4-phenylmethoxyphenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]ethanone Openeye Name: 1-[5-[(4-benzyloxyphenyl)methylamino]-3-(2-thienyl)-1,2,4-triazol-1-yl]-2-methoxy-ethanone CAS Name: 2-methoxy-1-[5-[(4-phenylmethoxyphenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]ethanone IUPAC Name: 2-methoxy-1-[5-[(4-phenylmethoxyphenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]ethanone Traditional Name: 1-[5-[(4-benzoxybenzyl)amino]-3-(2-thienyl)-1,2,4-triazol-1-yl]-2-methoxy-ethanone Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1C(=NC(=N1)C2=CC=CS2)NCC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

COCC(=O)N1C(=NC(=N1)C2=CC=CS2)NCC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O3S/c1-29-16-21(28)27-23(25-22(26-27)20-8-5-13-31-20)24-14-17-9-11-19(12-10-17)30-15-18-6-3-2-4-7-18/h2-13H,14-16H2,1H3,(H,24,25,26)