3-(2,4-dichlorophenyl)-4-ethyl-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(2,4-dichlorophenyl)-4-ethyl-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(2,4-dichlorophenyl)-4-ethyl-5-[(4-isopropylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2,4-dichlorophenyl)-4-ethyl-5-[(4-propan-2-ylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(2,4-dichlorophenyl)-4-ethyl-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(2,4-dichlorophenyl)-4-ethyl-5-[(4-isopropylbenzyl)thio]-1,2,4-triazole Formula: C20H21Cl2N3S MolecularWeight: 406.37184

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)C)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)C)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H21Cl2N3S/c1-4-25-19(17-10-9-16(21)11-18(17)22)23-24-20(25)26-12-14-5-7-15(8-6-14)13(2)3/h5-11,13H,4,12H2,1-3H3