4-methylsulfanyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium

Systemtic Name: 4-methylsulfanyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium Openeye Name: 4-methylsulfanyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium CAS Name: 4-(methylthio)-2-(4-nitrophenyl)-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium IUPAC Name: 4-methylsulfanyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium Traditional Name: 4-(methylthio)-2-(4-nitrophenyl)-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium Formula: C15H15N2O3S+ MolecularWeight: 303.3562

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=[O+]C2=C1CCCC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC(=[O+]C2=C1CCCC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H15N2O3S/c1-21-15-12-4-2-3-5-13(12)20-14(16-15)10-6-8-11(9-7-10)17(18)19/h6-9H,2-5H2,1H3/q+1