5,6-diphenyl-3-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazine

Systemtic Name: 5,6-diphenyl-3-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazine Openeye Name: 5,6-diphenyl-3-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazine CAS Name: 5,6-diphenyl-3-[2-(1-pyrrolidin-1-iumyl)ethylthio]-1,2,4-triazine IUPAC Name: 5,6-diphenyl-3-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazine Traditional Name: 5,6-diphenyl-3-(2-pyrrolidin-1-ium-1-ylethylthio)-1,2,4-triazine Formula: C21H23N4S+ MolecularWeight: 363.49912

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CCSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4S/c1-3-9-17(10-4-1)19-20(18-11-5-2-6-12-18)23-24-21(22-19)26-16-15-25-13-7-8-14-25/h1-6,9-12H,7-8,13-16H2/p+1