3-butyl-4-[(E)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-butyl-4-[(E)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-butyl-4-[(E)-(4-isobutoxy-3-methoxy-phenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-butyl-4-[(E)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-butyl-4-[(E)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-butyl-4-[(E)-(4-isobutoxy-3-methoxy-benzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C18H26N4O2S MolecularWeight: 362.48964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OCC(C)C)OC

Isomeric SMILES

CCCCC1=NNC(=S)N1/N=C/C2=CC(=C(C=C2)OCC(C)C)OC

InChI

InChI=1S/C18H26N4O2S/c1-5-6-7-17-20-21-18(25)22(17)19-11-14-8-9-15(16(10-14)23-4)24-12-13(2)3/h8-11,13H,5-7,12H2,1-4H3,(H,21,25)/b19-11+