4-ethyl-3-[(4-methylphenyl)methylsulfanyl]-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole

Systemtic Name: 4-ethyl-3-[(4-methylphenyl)methylsulfanyl]-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole Openeye Name: 4-ethyl-3-[(1-methylpyrrol-2-yl)methyl]-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-ethyl-3-[(4-methylphenyl)methylthio]-5-[(1-methyl-2-pyrrolyl)methyl]-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(4-methylphenyl)methylsulfanyl]-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole Traditional Name: 4-ethyl-3-[(4-methylbenzyl)thio]-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole Formula: C18H22N4S MolecularWeight: 326.45908

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C)CC3=CC=CN3C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C)CC3=CC=CN3C

InChI

InChI=1S/C18H22N4S/c1-4-22-17(12-16-6-5-11-21(16)3)19-20-18(22)23-13-15-9-7-14(2)8-10-15/h5-11H,4,12-13H2,1-3H3