2-[3-[(4-methylsulfonylphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-yl]ethanamine

Systemtic Name: 2-[3-[(4-methylsulfonylphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-yl]ethanamine Openeye Name: 2-[3-[(4-methylsulfonylphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-yl]ethanamine CAS Name: 2-[3-[(4-methylsulfonylphenyl)methylthio]-5-phenyl-1,2,4-triazol-4-yl]ethanamine IUPAC Name: 2-[3-[(4-methylsulfonylphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-yl]ethanamine Traditional Name: 2-[3-[(4-mesylbenzyl)thio]-5-phenyl-1,2,4-triazol-4-yl]ethylamine Formula: C18H20N4O2S2 MolecularWeight: 388.507

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CCN)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CCN)C3=CC=CC=C3

InChI

InChI=1S/C18H20N4O2S2/c1-26(23,24)16-9-7-14(8-10-16)13-25-18-21-20-17(22(18)12-11-19)15-5-3-2-4-6-15/h2-10H,11-13,19H2,1H3