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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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