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

Systemtic Name: 4-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(4-benzoxy-3-bromo-5-methoxy-benzyl)amino]-3-ethyl-1H-1,2,4-triazole-5-thione Formula: C19H21BrN4O2S MolecularWeight: 449.36464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN4O2S/c1-3-17-22-23-19(27)24(17)21-11-14-9-15(20)18(16(10-14)25-2)26-12-13-7-5-4-6-8-13/h4-10,21H,3,11-12H2,1-2H3,(H,23,27)