5-methyl-2-[(4-nitrophenyl)methylsulfanyl]-N,7-diphenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Systemtic Name: 5-methyl-2-[(4-nitrophenyl)methylsulfanyl]-N,7-diphenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: 5-methyl-2-[(4-nitrophenyl)methylsulfanyl]-N,7-diphenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: 5-methyl-2-[(4-nitrophenyl)methylthio]-N,7-diphenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide IUPAC Name: 5-methyl-2-[(4-nitrophenyl)methylsulfanyl]-N,7-diphenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: 5-methyl-2-[(4-nitrobenzyl)thio]-N,7-diphenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Formula: C26H22N6O3S MolecularWeight: 498.55628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=N1)N=C(N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(N2C(=N1)N=C(N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C26H22N6O3S/c1-17-22(24(33)28-20-10-6-3-7-11-20)23(19-8-4-2-5-9-19)31-25(27-17)29-26(30-31)36-16-18-12-14-21(15-13-18)32(34)35/h2-15,23H,16H2,1H3,(H,28,33)(H,27,29,30)