phenyl-[1-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: phenyl-[1-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: phenyl-[1-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: phenyl-[1-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: phenyl-[1-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: phenyl-[1-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-4-yl]methanone Formula: C21H23N4OS+ MolecularWeight: 379.49852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)C2=CC=CC=C2)CN3C(=S)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)C2=CC=CC=C2)CN3C(=S)N=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS/c26-19(16-7-3-1-4-8-16)17-11-13-24(14-12-17)15-25-21(27)22-20(23-25)18-9-5-2-6-10-18/h1-10,17H,11-15H2,(H,22,23,27)/p+1