3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-cyclohexyl-1,2,4-triazol-4-amine

Systemtic Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-cyclohexyl-1,2,4-triazol-4-amine Openeye Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-cyclohexyl-1,2,4-triazol-4-amine CAS Name: 3-(1H-benzimidazol-2-ylmethylthio)-5-cyclohexyl-1,2,4-triazol-4-amine IUPAC Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-cyclohexyl-1,2,4-triazol-4-amine Traditional Name: [3-(1H-benzimidazol-2-ylmethylthio)-5-cyclohexyl-1,2,4-triazol-4-yl]amine Formula: C16H20N6S MolecularWeight: 328.4352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C16H20N6S/c17-22-15(11-6-2-1-3-7-11)20-21-16(22)23-10-14-18-12-8-4-5-9-13(12)19-14/h4-5,8-9,11H,1-3,6-7,10,17H2,(H,18,19)