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

Systemtic Name: 5-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enylsulfanyl-1,2-thiazole-4-carbonitrile Openeye Name: 3-allylsulfanyl-5-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-isothiazole-4-carbonitrile CAS Name: 5-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-3-(prop-2-enylthio)-4-isothiazolecarbonitrile IUPAC Name: 5-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enylsulfanyl-1,2-thiazole-4-carbonitrile Traditional Name: 3-(allylthio)-5-[[2-keto-2-(4-nitrophenyl)ethyl]thio]isothiazole-4-carbonitrile Formula: C15H11N3O3S3 MolecularWeight: 377.46114

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NSC(=C1C#N)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCSC1=NSC(=C1C#N)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O3S3/c1-2-7-22-14-12(8-16)15(24-17-14)23-9-13(19)10-3-5-11(6-4-10)18(20)21/h2-6H,1,7,9H2