4-[(3-ethoxy-2-phenylmethoxy-phenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(3-ethoxy-2-phenylmethoxy-phenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(2-benzyloxy-3-ethoxy-phenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(2-benzoxy-3-ethoxy-benzyl)amino]-3-ethyl-1H-1,2,4-triazole-5-thione Formula: C20H24N4O2S MolecularWeight: 384.49516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1NCC2=C(C(=CC=C2)OCC)OCC3=CC=CC=C3

Isomeric SMILES

CCC1=NNC(=S)N1NCC2=C(C(=CC=C2)OCC)OCC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O2S/c1-3-18-22-23-20(27)24(18)21-13-16-11-8-12-17(25-4-2)19(16)26-14-15-9-6-5-7-10-15/h5-12,21H,3-4,13-14H2,1-2H3,(H,23,27)