4-(3,4-dimethylphenyl)-3-phenyl-5-(2-propan-2-yloxyethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(3,4-dimethylphenyl)-3-phenyl-5-(2-propan-2-yloxyethylsulfanyl)-1,2,4-triazole Openeye Name: 4-(3,4-dimethylphenyl)-3-(2-isopropoxyethylsulfanyl)-5-phenyl-1,2,4-triazole CAS Name: 4-(3,4-dimethylphenyl)-3-phenyl-5-(2-propan-2-yloxyethylthio)-1,2,4-triazole IUPAC Name: 4-(3,4-dimethylphenyl)-3-phenyl-5-(2-propan-2-yloxyethylsulfanyl)-1,2,4-triazole Traditional Name: 4-(3,4-dimethylphenyl)-3-(2-isopropoxyethylthio)-5-phenyl-1,2,4-triazole Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCCOC(C)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCCOC(C)C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H25N3OS/c1-15(2)25-12-13-26-21-23-22-20(18-8-6-5-7-9-18)24(21)19-11-10-16(3)17(4)14-19/h5-11,14-15H,12-13H2,1-4H3