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

Systemtic Name: 4-ethyl-3-[(3-methylphenyl)methylsulfanyl]-5-(4-propan-2-ylphenyl)-1,2,4-triazole Openeye Name: 4-ethyl-3-(4-isopropylphenyl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-ethyl-3-[(3-methylphenyl)methylthio]-5-(4-propan-2-ylphenyl)-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(3-methylphenyl)methylsulfanyl]-5-(4-propan-2-ylphenyl)-1,2,4-triazole Traditional Name: 4-ethyl-3-[(3-methylbenzyl)thio]-5-p-cumenyl-1,2,4-triazole Formula: C21H25N3S MolecularWeight: 351.5083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3S/c1-5-24-20(19-11-9-18(10-12-19)15(2)3)22-23-21(24)25-14-17-8-6-7-16(4)13-17/h6-13,15H,5,14H2,1-4H3