5-phenyl-3-(1-pyrrolidin-1-ylsulfonylhex-5-ynyl)-1,2,4-triazine

Systemtic Name: 5-phenyl-3-(1-pyrrolidin-1-ylsulfonylhex-5-ynyl)-1,2,4-triazine Openeye Name: 5-phenyl-3-(1-pyrrolidin-1-ylsulfonylhex-5-ynyl)-1,2,4-triazine CAS Name: 5-phenyl-3-[1-(1-pyrrolidinylsulfonyl)hex-5-ynyl]-1,2,4-triazine IUPAC Name: 5-phenyl-3-(1-pyrrolidin-1-ylsulfonylhex-5-ynyl)-1,2,4-triazine Traditional Name: 5-phenyl-3-(1-pyrrolidinosulfonylhex-5-ynyl)-1,2,4-triazine Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCC(C1=NC(=CN=N1)C2=CC=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C#CCCCC(C1=NC(=CN=N1)C2=CC=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H22N4O2S/c1-2-3-5-12-18(26(24,25)23-13-8-9-14-23)19-21-17(15-20-22-19)16-10-6-4-7-11-16/h1,4,6-7,10-11,15,18H,3,5,8-9,12-14H2