4-(2,6-dimethylphenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2,6-dimethylphenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2,6-dimethylphenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(2,6-dimethylphenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2,6-dimethylphenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2,6-dimethylphenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione Formula: C23H37N3S MolecularWeight: 387.62498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=NNC(=S)N1C2=C(C=CC=C2C)C

Isomeric SMILES

CCCCCCCCCCCCCC1=NNC(=S)N1C2=C(C=CC=C2C)C

InChI

InChI=1S/C23H37N3S/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24-25-23(27)26(21)22-19(2)16-15-17-20(22)3/h15-17H,4-14,18H2,1-3H3,(H,25,27)