1-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidin-1-ium

Systemtic Name: 1-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidin-1-ium Openeye Name: 1-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidin-1-ium CAS Name: 1-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]ethyl]piperidin-1-ium IUPAC Name: 1-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidin-1-ium Traditional Name: 1-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]ethyl]piperidin-1-ium Formula: C21H25N4S+ MolecularWeight: 365.515

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4S/c1-4-10-18(11-5-1)20-22-23-21(25(20)19-12-6-2-7-13-19)26-17-16-24-14-8-3-9-15-24/h1-2,4-7,10-13H,3,8-9,14-17H2/p+1