3-(1-adamantylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(1-adamantylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1-adamantylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-adamantylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1-adamantylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1-adamantylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione Formula: C14H21N3S MolecularWeight: 263.40164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=S)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN1C(=NNC1=S)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C14H21N3S/c1-17-12(15-16-13(17)18)8-14-5-9-2-10(6-14)4-11(3-9)7-14/h9-11H,2-8H2,1H3,(H,16,18)