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

Systemtic Name: 4-[[3-bromanyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-bromo-5-methoxy-4-(2-thienylmethoxy)phenyl]methylamino]-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-bromo-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-bromo-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-bromo-5-methoxy-4-(2-thenyloxy)benzyl]amino]-1H-1,2,4-triazole-5-thione Formula: C15H15BrN4O2S2 MolecularWeight: 427.3392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNN2C=NNC2=S)Br)OCC3=CC=CS3

Isomeric SMILES

COC1=C(C(=CC(=C1)CNN2C=NNC2=S)Br)OCC3=CC=CS3

InChI

InChI=1S/C15H15BrN4O2S2/c1-21-13-6-10(7-18-20-9-17-19-15(20)23)5-12(16)14(13)22-8-11-3-2-4-24-11/h2-6,9,18H,7-8H2,1H3,(H,19,23)