8-(4-methylphenyl)sulfonyl-2-pentadecan-7-ylsulfanyl-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one

Systemtic Name: 8-(4-methylphenyl)sulfonyl-2-pentadecan-7-ylsulfanyl-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one Openeye Name: 2-(1-hexylnonylsulfanyl)-7-phenyl-8-(p-tolylsulfonyl)-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one CAS Name: 8-(4-methylphenyl)sulfonyl-2-(pentadecan-7-ylthio)-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one IUPAC Name: 8-(4-methylphenyl)sulfonyl-2-pentadecan-7-ylsulfanyl-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one Traditional Name: 2-(1-hexylnonylthio)-7-phenyl-8-tosyl-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one Formula: C34H45N3O3S2 MolecularWeight: 607.8694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)SC1=NC(=O)N2C=C(C(=C2N1)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCC(CCCCCC)SC1=NC(=O)N2C=C(C(=C2N1)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C34H45N3O3S2/c1-4-6-8-10-11-16-20-28(19-15-9-7-5-2)41-33-35-32-31(42(39,40)29-23-21-26(3)22-24-29)30(25-37(32)34(38)36-33)27-17-13-12-14-18-27/h12-14,17-18,21-25,28H,4-11,15-16,19-20H2,1-3H3,(H,35,36,38)