3-dodecyl-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-dodecyl-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-dodecyl-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-dodecyl-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-dodecyl-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-lauryl-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C21H33N3OS MolecularWeight: 375.57122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=NNC(=S)N1C2=CC(=CC=C2)OC

Isomeric SMILES

CCCCCCCCCCCCC1=NNC(=S)N1C2=CC(=CC=C2)OC

InChI

InChI=1S/C21H33N3OS/c1-3-4-5-6-7-8-9-10-11-12-16-20-22-23-21(26)24(20)18-14-13-15-19(17-18)25-2/h13-15,17H,3-12,16H2,1-2H3,(H,23,26)