3-methyl-7-(triphenylmethyl)sulfanyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-3-ium

Systemtic Name: 3-methyl-7-(triphenylmethyl)sulfanyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-3-ium Openeye Name: 3-methyl-7-tritylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-3-ium CAS Name: 3-methyl-7-[(triphenylmethyl)thio]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-3-ium IUPAC Name: 3-methyl-7-tritylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-3-ium Traditional Name: 3-methyl-7-(tritylthio)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-3-ium Formula: C25H24N3S+ MolecularWeight: 398.54316

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN=C2N1CCC2SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C[N+]1=CN=C2N1CCC2SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H24N3S/c1-27-19-26-24-23(17-18-28(24)27)29-25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3/q+1