3-[1-(4-methylphenyl)sulfonylhex-5-ynyl]-5-phenyl-1,2,4-triazine

Systemtic Name: 3-[1-(4-methylphenyl)sulfonylhex-5-ynyl]-5-phenyl-1,2,4-triazine Openeye Name: 5-phenyl-3-[1-(p-tolylsulfonyl)hex-5-ynyl]-1,2,4-triazine CAS Name: 3-[1-(4-methylphenyl)sulfonylhex-5-ynyl]-5-phenyl-1,2,4-triazine IUPAC Name: 3-[1-(4-methylphenyl)sulfonylhex-5-ynyl]-5-phenyl-1,2,4-triazine Traditional Name: 5-phenyl-3-(1-tosylhex-5-ynyl)-1,2,4-triazine Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCC#C)C2=NC(=CN=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCC#C)C2=NC(=CN=N2)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O2S/c1-3-4-6-11-21(28(26,27)19-14-12-17(2)13-15-19)22-24-20(16-23-25-22)18-9-7-5-8-10-18/h1,5,7-10,12-16,21H,4,6,11H2,2H3