cyclopentyl-methyl-[(4-phenyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium

Systemtic Name: cyclopentyl-methyl-[(4-phenyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: cyclopentyl-methyl-[[4-phenyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: cyclopentyl-methyl-[[4-phenyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: cyclopentyl-methyl-[(4-phenyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: cyclopentyl-methyl-[[4-phenyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C20H24N5S+ MolecularWeight: 366.50306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CN1C(=S)N(C(=N1)C2=CN=CC=C2)C3=CC=CC=C3)C4CCCC4

Isomeric SMILES

C[NH+](CN1C(=S)N(C(=N1)C2=CN=CC=C2)C3=CC=CC=C3)C4CCCC4

InChI

InChI=1S/C20H23N5S/c1-23(17-9-5-6-10-17)15-24-20(26)25(18-11-3-2-4-12-18)19(22-24)16-8-7-13-21-14-16/h2-4,7-8,11-14,17H,5-6,9-10,15H2,1H3/p+1