4-(2,2-diethoxyethyl)-3-(diphenylmethyl)-5-methylsulfanyl-1,2,4-triazole

Systemtic Name: 4-(2,2-diethoxyethyl)-3-(diphenylmethyl)-5-methylsulfanyl-1,2,4-triazole Openeye Name: 3-benzhydryl-4-(2,2-diethoxyethyl)-5-methylsulfanyl-1,2,4-triazole CAS Name: 4-(2,2-diethoxyethyl)-3-(diphenylmethyl)-5-(methylthio)-1,2,4-triazole IUPAC Name: 3-benzhydryl-4-(2,2-diethoxyethyl)-5-methylsulfanyl-1,2,4-triazole Traditional Name: 3-benzhydryl-4-(2,2-diethoxyethyl)-5-(methylthio)-1,2,4-triazole Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN1C(=NN=C1SC)C(C2=CC=CC=C2)C3=CC=CC=C3)OCC

Isomeric SMILES

CCOC(CN1C(=NN=C1SC)C(C2=CC=CC=C2)C3=CC=CC=C3)OCC

InChI

InChI=1S/C22H27N3O2S/c1-4-26-19(27-5-2)16-25-21(23-24-22(25)28-3)20(17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,19-20H,4-5,16H2,1-3H3