3-methylsulfanyl-5-phenyl-6-[1-(phenylsulfonyl)hex-5-ynyl]-1,2,4-triazine

Systemtic Name: 3-methylsulfanyl-5-phenyl-6-[1-(phenylsulfonyl)hex-5-ynyl]-1,2,4-triazine Openeye Name: 6-[1-(benzenesulfonyl)hex-5-ynyl]-3-methylsulfanyl-5-phenyl-1,2,4-triazine CAS Name: 6-[1-(benzenesulfonyl)hex-5-ynyl]-3-(methylthio)-5-phenyl-1,2,4-triazine IUPAC Name: 6-[1-(benzenesulfonyl)hex-5-ynyl]-3-methylsulfanyl-5-phenyl-1,2,4-triazine Traditional Name: 6-(1-besylhex-5-ynyl)-3-(methylthio)-5-phenyl-1,2,4-triazine Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(N=N1)C(CCCC#C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(N=N1)C(CCCC#C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O2S2/c1-3-4-7-16-19(29(26,27)18-14-10-6-11-15-18)21-20(17-12-8-5-9-13-17)23-22(28-2)25-24-21/h1,5-6,8-15,19H,4,7,16H2,2H3