N-(3-butyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-1-(3-nitrophenyl)methanimine oxide

Systemtic Name: N-(3-butyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-1-(3-nitrophenyl)methanimine oxide Openeye Name: N-(3-butyl-5,5-dimethyl-2-thioxo-thiazolidin-4-yl)-1-(3-nitrophenyl)methanimine oxide CAS Name: N-(3-butyl-5,5-dimethyl-2-sulfanylidene-4-thiazolidinyl)-1-(3-nitrophenyl)methanimine oxide IUPAC Name: N-(3-butyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-1-(3-nitrophenyl)methanimine oxide Traditional Name: N-(3-butyl-5,5-dimethyl-2-thioxo-thiazolidin-4-yl)-1-(3-nitrophenyl)methanimine oxide Formula: C16H21N3O3S2 MolecularWeight: 367.48624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(SC1=S)(C)C)[N+](=CC2=CC(=CC=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCCN1C(C(SC1=S)(C)C)/[N+](=C/C2=CC(=CC=C2)[N+](=O)[O-])/[O-]

InChI

InChI=1S/C16H21N3O3S2/c1-4-5-9-17-14(16(2,3)24-15(17)23)18(20)11-12-7-6-8-13(10-12)19(21)22/h6-8,10-11,14H,4-5,9H2,1-3H3/b18-11-