4-(3,4-dimethylphenyl)-3-(2-phenoxyethylsulfanyl)-5-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 4-(3,4-dimethylphenyl)-3-(2-phenoxyethylsulfanyl)-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-4-(3,4-dimethylphenyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole CAS Name: 4-(3,4-dimethylphenyl)-3-(2-phenoxyethylthio)-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-4-(3,4-dimethylphenyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole Traditional Name: 3-benzyl-4-(3,4-dimethylphenyl)-5-(2-phenoxyethylthio)-1,2,4-triazole Formula: C25H25N3OS MolecularWeight: 415.5505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCCOC3=CC=CC=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCCOC3=CC=CC=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H25N3OS/c1-19-13-14-22(17-20(19)2)28-24(18-21-9-5-3-6-10-21)26-27-25(28)30-16-15-29-23-11-7-4-8-12-23/h3-14,17H,15-16,18H2,1-2H3