5-methyl-3-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2-thiazole-4-carbonitrile

Systemtic Name: 5-methyl-3-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2-thiazole-4-carbonitrile Openeye Name: 5-methyl-3-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-isothiazole-4-carbonitrile CAS Name: 5-methyl-3-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-4-isothiazolecarbonitrile IUPAC Name: 5-methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,2-thiazole-4-carbonitrile Traditional Name: 3-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-5-methyl-isothiazole-4-carbonitrile Formula: C13H9N3O3S2 MolecularWeight: 319.35886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NS1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=NS1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H9N3O3S2/c1-8-11(6-14)13(15-21-8)20-7-12(17)9-2-4-10(5-3-9)16(18)19/h2-5H,7H2,1H3