N-[1-(4-methyl-3-nitro-phenyl)ethyl]-1,1-bis(oxidanylidene)thian-4-amine

Systemtic Name: N-[1-(4-methyl-3-nitro-phenyl)ethyl]-1,1-bis(oxidanylidene)thian-4-amine Openeye Name: N-[1-(4-methyl-3-nitro-phenyl)ethyl]-1,1-dioxo-thian-4-amine CAS Name: N-[1-(4-methyl-3-nitrophenyl)ethyl]-1,1-dioxo-4-thianamine IUPAC Name: N-[1-(4-methyl-3-nitrophenyl)ethyl]-1,1-dioxothian-4-amine Traditional Name: (1,1-diketothian-4-yl)-[1-(4-methyl-3-nitro-phenyl)ethyl]amine Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC2CCS(=O)(=O)CC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC2CCS(=O)(=O)CC2)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O4S/c1-10-3-4-12(9-14(10)16(17)18)11(2)15-13-5-7-21(19,20)8-6-13/h3-4,9,11,13,15H,5-8H2,1-2H3