5-phenyl-3-[1-(phenylsulfonyl)hex-5-ynyl]-1,2,4-triazine

Systemtic Name: 5-phenyl-3-[1-(phenylsulfonyl)hex-5-ynyl]-1,2,4-triazine Openeye Name: 3-[1-(benzenesulfonyl)hex-5-ynyl]-5-phenyl-1,2,4-triazine CAS Name: 3-[1-(benzenesulfonyl)hex-5-ynyl]-5-phenyl-1,2,4-triazine IUPAC Name: 3-[1-(benzenesulfonyl)hex-5-ynyl]-5-phenyl-1,2,4-triazine Traditional Name: 3-(1-besylhex-5-ynyl)-5-phenyl-1,2,4-triazine Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCC(C1=NC(=CN=N1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C#CCCCC(C1=NC(=CN=N1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O2S/c1-2-3-6-15-20(27(25,26)18-13-9-5-10-14-18)21-23-19(16-22-24-21)17-11-7-4-8-12-17/h1,4-5,7-14,16,20H,3,6,15H2