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

Systemtic Name: 4-[(3-ethoxy-2-phenylmethoxy-phenyl)methylamino]-3-propyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(2-benzyloxy-3-ethoxy-phenyl)methylamino]-3-propyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]-3-propyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]-3-propyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(2-benzoxy-3-ethoxy-benzyl)amino]-3-propyl-1H-1,2,4-triazole-5-thione Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1NCC2=C(C(=CC=C2)OCC)OCC3=CC=CC=C3

Isomeric SMILES

CCCC1=NNC(=S)N1NCC2=C(C(=CC=C2)OCC)OCC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O2S/c1-3-9-19-23-24-21(28)25(19)22-14-17-12-8-13-18(26-4-2)20(17)27-15-16-10-6-5-7-11-16/h5-8,10-13,22H,3-4,9,14-15H2,1-2H3,(H,24,28)