1-(4-methylphenyl)sulfonyl-3-phenethyl-1,2,4-triazole

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-phenethyl-1,2,4-triazole Openeye Name: 3-phenethyl-1-(p-tolylsulfonyl)-1,2,4-triazole CAS Name: 1-(4-methylphenyl)sulfonyl-3-phenethyl-1,2,4-triazole IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-phenethyl-1,2,4-triazole Traditional Name: 3-phenethyl-1-tosyl-1,2,4-triazole Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=NC(=N2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=NC(=N2)CCC3=CC=CC=C3

InChI

InChI=1S/C17H17N3O2S/c1-14-7-10-16(11-8-14)23(21,22)20-13-18-17(19-20)12-9-15-5-3-2-4-6-15/h2-8,10-11,13H,9,12H2,1H3