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

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-1,1-bis(oxidanylidene)thian-4-amine Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]-1,1-dioxo-thian-4-amine CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-1,1-dioxo-4-thianamine IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]-1,1-dioxothian-4-amine Traditional Name: (2-chloro-5-nitro-benzyl)-(1,1-diketothian-4-yl)amine Formula: C12H15ClN2O4S MolecularWeight: 318.7765

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NCC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CS(=O)(=O)CCC1NCC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H15ClN2O4S/c13-12-2-1-11(15(16)17)7-9(12)8-14-10-3-5-20(18,19)6-4-10/h1-2,7,10,14H,3-6,8H2