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

Systemtic Name: 4-(2,2-diethoxyethyl)-3-ethylsulfanyl-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-4-(2,2-diethoxyethyl)-5-ethylsulfanyl-1,2,4-triazole CAS Name: 4-(2,2-diethoxyethyl)-3-(ethylthio)-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-4-(2,2-diethoxyethyl)-5-ethylsulfanyl-1,2,4-triazole Traditional Name: 3-benzyl-4-(2,2-diethoxyethyl)-5-(ethylthio)-1,2,4-triazole Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN1C(=NN=C1SCC)CC2=CC=CC=C2)OCC

Isomeric SMILES

CCOC(CN1C(=NN=C1SCC)CC2=CC=CC=C2)OCC

InChI

InChI=1S/C17H25N3O2S/c1-4-21-16(22-5-2)13-20-15(18-19-17(20)23-6-3)12-14-10-8-7-9-11-14/h7-11,16H,4-6,12-13H2,1-3H3