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

Systemtic Name: 3,5-bis[[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl]-1,2-thiazole-4-carbonitrile Openeye Name: 3,5-bis[[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl]isothiazole-4-carbonitrile CAS Name: 3,5-bis[[2-(3-nitrophenyl)-2-oxoethyl]thio]-4-isothiazolecarbonitrile IUPAC Name: 3,5-bis[[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl]-1,2-thiazole-4-carbonitrile Traditional Name: 3,5-bis[[2-keto-2-(3-nitrophenyl)ethyl]thio]isothiazole-4-carbonitrile Formula: C20H12N4O6S3 MolecularWeight: 500.52748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=C(C(=NS2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=C(C(=NS2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H12N4O6S3/c21-9-16-19(31-10-17(25)12-3-1-5-14(7-12)23(27)28)22-33-20(16)32-11-18(26)13-4-2-6-15(8-13)24(29)30/h1-8H,10-11H2