2-methyl-4-[(4-nitrophenyl)methylsulfanyl]-[1]benzofuro[3,2-d]pyrimidine

Systemtic Name: 2-methyl-4-[(4-nitrophenyl)methylsulfanyl]-[1]benzofuro[3,2-d]pyrimidine Openeye Name: 2-methyl-4-[(4-nitrophenyl)methylsulfanyl]benzofuro[3,2-d]pyrimidine CAS Name: 2-methyl-4-[(4-nitrophenyl)methylthio]benzofuro[3,2-d]pyrimidine IUPAC Name: 2-methyl-4-[(4-nitrophenyl)methylsulfanyl]-[1]benzofuro[3,2-d]pyrimidine Traditional Name: 2-methyl-4-[(4-nitrobenzyl)thio]benzofuro[3,2-d]pyrimidine Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)SCC3=CC=C(C=C3)[N+](=O)[O-])OC4=CC=CC=C42

Isomeric SMILES

CC1=NC2=C(C(=N1)SCC3=CC=C(C=C3)[N+](=O)[O-])OC4=CC=CC=C42

InChI

InChI=1S/C18H13N3O3S/c1-11-19-16-14-4-2-3-5-15(14)24-17(16)18(20-11)25-10-12-6-8-13(9-7-12)21(22)23/h2-9H,10H2,1H3