[4-methyl-2-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl] thiocyanate

Systemtic Name: [4-methyl-2-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl] thiocyanate Openeye Name: [4-methyl-2-[(2E)-2-[(3-nitrophenyl)methylene]hydrazino]thiazol-5-yl] thiocyanate CAS Name: thiocyanic acid [4-methyl-2-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-5-thiazolyl] ester IUPAC Name: [4-methyl-2-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl] thiocyanate Traditional Name: thiocyanic acid [4-methyl-2-[(N'E)-N'-(3-nitrobenzylidene)hydrazino]thiazol-5-yl] ester Formula: C12H9N5O2S2 MolecularWeight: 319.36216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NN=CC2=CC(=CC=C2)[N+](=O)[O-])SC#N

Isomeric SMILES

CC1=C(SC(=N1)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-])SC#N

InChI

InChI=1S/C12H9N5O2S2/c1-8-11(20-7-13)21-12(15-8)16-14-6-9-3-2-4-10(5-9)17(18)19/h2-6H,1H3,(H,15,16)/b14-6+