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

Systemtic Name: 3-methylsulfanyl-5-phenyl-6-[1-(phenylsulfonyl)pent-4-ynyl]-1,2,4-triazine Openeye Name: 6-[1-(benzenesulfonyl)pent-4-ynyl]-3-methylsulfanyl-5-phenyl-1,2,4-triazine CAS Name: 6-[1-(benzenesulfonyl)pent-4-ynyl]-3-(methylthio)-5-phenyl-1,2,4-triazine IUPAC Name: 6-[1-(benzenesulfonyl)pent-4-ynyl]-3-methylsulfanyl-5-phenyl-1,2,4-triazine Traditional Name: 6-(1-besylpent-4-ynyl)-3-(methylthio)-5-phenyl-1,2,4-triazine Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2S2/c1-3-4-15-18(28(25,26)17-13-9-6-10-14-17)20-19(16-11-7-5-8-12-16)22-21(27-2)24-23-20/h1,5-14,18H,4,15H2,2H3