3-tert-butyl-4-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-tert-butyl-4-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-tert-butyl-4-[(Z)-(4-isopentyloxyphenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-tert-butyl-4-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-tert-butyl-4-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-tert-butyl-4-[(Z)-(4-isoamoxybenzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C18H26N4OS MolecularWeight: 346.49024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C=NN2C(=NNC2=S)C(C)(C)C

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)/C=N\N2C(=NNC2=S)C(C)(C)C

InChI

InChI=1S/C18H26N4OS/c1-13(2)10-11-23-15-8-6-14(7-9-15)12-19-22-16(18(3,4)5)20-21-17(22)24/h6-9,12-13H,10-11H2,1-5H3,(H,21,24)/b19-12-