N-[(2-methoxy-5-nitro-phenyl)methyl]-1,1-bis(oxidanylidene)thian-4-amine

Systemtic Name: N-[(2-methoxy-5-nitro-phenyl)methyl]-1,1-bis(oxidanylidene)thian-4-amine Openeye Name: N-[(2-methoxy-5-nitro-phenyl)methyl]-1,1-dioxo-thian-4-amine CAS Name: N-[(2-methoxy-5-nitrophenyl)methyl]-1,1-dioxo-4-thianamine IUPAC Name: N-[(2-methoxy-5-nitrophenyl)methyl]-1,1-dioxothian-4-amine Traditional Name: (1,1-diketothian-4-yl)-(2-methoxy-5-nitro-benzyl)amine Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CNC2CCS(=O)(=O)CC2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CNC2CCS(=O)(=O)CC2

InChI

InChI=1S/C13H18N2O5S/c1-20-13-3-2-12(15(16)17)8-10(13)9-14-11-4-6-21(18,19)7-5-11/h2-3,8,11,14H,4-7,9H2,1H3