2-adamantyl-ethyl-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium

Systemtic Name: 2-adamantyl-ethyl-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: 2-adamantyl-[(4-benzyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-ethyl-ammonium CAS Name: 2-adamantyl-ethyl-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: 2-adamantyl-[(4-benzyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-ethylazanium Traditional Name: 2-adamantyl-[(4-benzyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-ethyl-ammonium Formula: C23H33N4S+ MolecularWeight: 397.59992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CN1C(=S)N(C(=N1)C)CC2=CC=CC=C2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC[NH+](CN1C(=S)N(C(=N1)C)CC2=CC=CC=C2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H32N4S/c1-3-25(22-20-10-18-9-19(12-20)13-21(22)11-18)15-27-23(28)26(16(2)24-27)14-17-7-5-4-6-8-17/h4-8,18-22H,3,9-15H2,1-2H3/p+1