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

Systemtic Name: 4-(2,2-diethoxyethyl)-3-methylsulfanyl-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-4-(2,2-diethoxyethyl)-5-methylsulfanyl-1,2,4-triazole CAS Name: 4-(2,2-diethoxyethyl)-3-(methylthio)-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-4-(2,2-diethoxyethyl)-5-methylsulfanyl-1,2,4-triazole Traditional Name: 3-benzyl-4-(2,2-diethoxyethyl)-5-(methylthio)-1,2,4-triazole Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN1C(=NN=C1SC)CC2=CC=CC=C2)OCC

Isomeric SMILES

CCOC(CN1C(=NN=C1SC)CC2=CC=CC=C2)OCC

InChI

InChI=1S/C16H23N3O2S/c1-4-20-15(21-5-2)12-19-14(17-18-16(19)22-3)11-13-9-7-6-8-10-13/h6-10,15H,4-5,11-12H2,1-3H3