5-[[1-(diphenylmethyl)azetidin-1-ium-3-yl]sulfanylmethyl]-4-methyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[[1-(diphenylmethyl)azetidin-1-ium-3-yl]sulfanylmethyl]-4-methyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(1-benzhydrylazetidin-1-ium-3-yl)sulfanylmethyl]-4-methyl-1,2,4-triazole-3-thiolate CAS Name: 5-[[[1-(diphenylmethyl)-3-azetidin-1-iumyl]thio]methyl]-4-methyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(1-benzhydrylazetidin-1-ium-3-yl)sulfanylmethyl]-4-methyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[[(1-benzhydrylazetidin-1-ium-3-yl)thio]methyl]-4-methyl-1,2,4-triazole-3-thiolate Formula: C20H22N4S2 MolecularWeight: 382.54548

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1[S-])CSC2C[NH+](C2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1[S-])CSC2C[NH+](C2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N4S2/c1-23-18(21-22-20(23)25)14-26-17-12-24(13-17)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17,19H,12-14H2,1H3,(H,22,25)