2-hexadecylsulfanyl-4-oxidanylidene-7-phenyl-6H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide

Systemtic Name: 2-hexadecylsulfanyl-4-oxidanylidene-7-phenyl-6H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide Openeye Name: 2-hexadecylsulfanyl-4-oxo-7-phenyl-6H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide CAS Name: 2-(hexadecylthio)-4-oxo-7-phenyl-6H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide IUPAC Name: 2-hexadecylsulfanyl-4-oxo-7-phenyl-6H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide Traditional Name: 2-(cetylthio)-4-keto-7-phenyl-6H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide Formula: C29H42N4O2S MolecularWeight: 510.73438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=NC(=O)N2CC(=C(C2=N1)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=NC(=O)N2CC(=C(C2=N1)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C29H42N4O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-36-28-31-27-25(26(30)34)24(22-33(27)29(35)32-28)23-19-16-15-17-20-23/h15-17,19-20H,2-14,18,21-22H2,1H3,(H2,30,34)