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

Systemtic Name: 4-ethyl-3-[(4-methylphenyl)methylsulfanyl]-5-(2-phenylcyclopropyl)-1,2,4-triazole Openeye Name: 4-ethyl-3-(2-phenylcyclopropyl)-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-ethyl-3-[(4-methylphenyl)methylthio]-5-(2-phenylcyclopropyl)-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(4-methylphenyl)methylsulfanyl]-5-(2-phenylcyclopropyl)-1,2,4-triazole Traditional Name: 4-ethyl-3-[(4-methylbenzyl)thio]-5-(2-phenylcyclopropyl)-1,2,4-triazole Formula: C21H23N3S MolecularWeight: 349.49242

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C)C3CC3C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C)C3CC3C4=CC=CC=C4

InChI

InChI=1S/C21H23N3S/c1-3-24-20(19-13-18(19)17-7-5-4-6-8-17)22-23-21(24)25-14-16-11-9-15(2)10-12-16/h4-12,18-19H,3,13-14H2,1-2H3