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

Systemtic Name: 4-[(5-bromanyl-2-methoxy-phenyl)methylamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(5-bromo-2-methoxy-phenyl)methylamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(5-bromo-2-methoxyphenyl)methylamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(5-bromo-2-methoxyphenyl)methylamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(5-bromo-2-methoxy-benzyl)amino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C17H17BrN4O2S MolecularWeight: 421.31148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNN2C(=NNC2=S)C3=CC=CC=C3OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNN2C(=NNC2=S)C3=CC=CC=C3OC

InChI

InChI=1S/C17H17BrN4O2S/c1-23-14-8-7-12(18)9-11(14)10-19-22-16(20-21-17(22)25)13-5-3-4-6-15(13)24-2/h3-9,19H,10H2,1-2H3,(H,21,25)