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

Systemtic Name: 3-[1-(4-methylphenyl)sulfonylpent-4-ynyl]-5-phenyl-1,2,4-triazine Openeye Name: 5-phenyl-3-[1-(p-tolylsulfonyl)pent-4-ynyl]-1,2,4-triazine CAS Name: 3-[1-(4-methylphenyl)sulfonylpent-4-ynyl]-5-phenyl-1,2,4-triazine IUPAC Name: 3-[1-(4-methylphenyl)sulfonylpent-4-ynyl]-5-phenyl-1,2,4-triazine Traditional Name: 5-phenyl-3-(1-tosylpent-4-ynyl)-1,2,4-triazine Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2S/c1-3-4-10-20(27(25,26)18-13-11-16(2)12-14-18)21-23-19(15-22-24-21)17-8-6-5-7-9-17/h1,5-9,11-15,20H,4,10H2,2H3