4,4-diethyl-6-(3-nitrophenyl)-1H-3,1-benzoxazine-2-thione

Systemtic Name: 4,4-diethyl-6-(3-nitrophenyl)-1H-3,1-benzoxazine-2-thione Openeye Name: 4,4-diethyl-6-(3-nitrophenyl)-1H-3,1-benzoxazine-2-thione CAS Name: 4,4-diethyl-6-(3-nitrophenyl)-1H-3,1-benzoxazine-2-thione IUPAC Name: 4,4-diethyl-6-(3-nitrophenyl)-1H-3,1-benzoxazine-2-thione Traditional Name: 4,4-diethyl-6-(3-nitrophenyl)-1H-3,1-benzoxazine-2-thione Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])NC(=S)O1)CC

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])NC(=S)O1)CC

InChI

InChI=1S/C18H18N2O3S/c1-3-18(4-2)15-11-13(8-9-16(15)19-17(24)23-18)12-6-5-7-14(10-12)20(21)22/h5-11H,3-4H2,1-2H3,(H,19,24)