4-(2,3-dimethylcyclohexyl)-3-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2,3-dimethylcyclohexyl)-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2,3-dimethylcyclohexyl)-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(2,3-dimethylcyclohexyl)-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2,3-dimethylcyclohexyl)-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2,3-dimethylcyclohexyl)-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C16H21N3S MolecularWeight: 287.42304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(=NNC2=S)C3=CC=CC=C3

Isomeric SMILES

CC1CCCC(C1C)N2C(=NNC2=S)C3=CC=CC=C3

InChI

InChI=1S/C16H21N3S/c1-11-7-6-10-14(12(11)2)19-15(17-18-16(19)20)13-8-4-3-5-9-13/h3-5,8-9,11-12,14H,6-7,10H2,1-2H3,(H,18,20)