3-[4-methyl-5-[(2-methylphenyl)-phenyl-methyl]sulfanyl-1,2,4-triazol-3-yl]thiolane 1,1-dioxide

Systemtic Name: 3-[4-methyl-5-[(2-methylphenyl)-phenyl-methyl]sulfanyl-1,2,4-triazol-3-yl]thiolane 1,1-dioxide Openeye Name: 3-[4-methyl-5-[o-tolyl(phenyl)methyl]sulfanyl-1,2,4-triazol-3-yl]thiolane 1,1-dioxide CAS Name: 3-[4-methyl-5-[[(2-methylphenyl)-phenylmethyl]thio]-1,2,4-triazol-3-yl]thiolane 1,1-dioxide IUPAC Name: 3-[4-methyl-5-[(2-methylphenyl)-phenylmethyl]sulfanyl-1,2,4-triazol-3-yl]thiolane 1,1-dioxide Traditional Name: 3-[4-methyl-5-[[o-tolyl(phenyl)methyl]thio]-1,2,4-triazol-3-yl]sulfolane Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)SC3=NN=C(N3C)C4CCS(=O)(=O)C4

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)SC3=NN=C(N3C)C4CCS(=O)(=O)C4

InChI

InChI=1S/C21H23N3O2S2/c1-15-8-6-7-11-18(15)19(16-9-4-3-5-10-16)27-21-23-22-20(24(21)2)17-12-13-28(25,26)14-17/h3-11,17,19H,12-14H2,1-2H3