2-(2-butylsulfanyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-[(E)-(3-nitrophenyl)methylideneamino]ethanamide

Systemtic Name: 2-(2-butylsulfanyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-[(E)-(3-nitrophenyl)methylideneamino]ethanamide Openeye Name: 2-(2-butylsulfanyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-[(E)-(3-nitrophenyl)methyleneamino]acetamide CAS Name: 2-[[2-(butylthio)-6-methyl-4-pyrimidinyl]thio]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide IUPAC Name: 2-(2-butylsulfanyl-6-methylpyrimidin-4-yl)sulfanyl-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-[[2-(butylthio)-6-methyl-pyrimidin-4-yl]thio]-N-[(E)-(3-nitrobenzylidene)amino]acetamide Formula: C18H21N5O3S2 MolecularWeight: 419.52104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=CC(=N1)SCC(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCSC1=NC(=CC(=N1)SCC(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H21N5O3S2/c1-3-4-8-27-18-20-13(2)9-17(21-18)28-12-16(24)22-19-11-14-6-5-7-15(10-14)23(25)26/h5-7,9-11H,3-4,8,12H2,1-2H3,(H,22,24)/b19-11+