N-[1-(3-nitrophenyl)propyl]-1,1-bis(oxidanylidene)thian-4-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)[N+](=O)[O-])NC2CCS(=O)(=O)CC2

Isomeric SMILES

CCC(C1=CC(=CC=C1)[N+](=O)[O-])NC2CCS(=O)(=O)CC2

InChI

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