3,5-bis[(4-nitrophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile

Systemtic Name: 3,5-bis[(4-nitrophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile Openeye Name: 3,5-bis[(4-nitrophenyl)methylsulfanyl]isothiazole-4-carbonitrile CAS Name: 3,5-bis[(4-nitrophenyl)methylthio]-4-isothiazolecarbonitrile IUPAC Name: 3,5-bis[(4-nitrophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile Traditional Name: 3,5-bis[(4-nitrobenzyl)thio]isothiazole-4-carbonitrile Formula: C18H12N4O4S3 MolecularWeight: 444.50728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=C(C(=NS2)SCC3=CC=C(C=C3)[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=C(C(=NS2)SCC3=CC=C(C=C3)[N+](=O)[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O4S3/c19-9-16-17(27-10-12-1-5-14(6-2-12)21(23)24)20-29-18(16)28-11-13-3-7-15(8-4-13)22(25)26/h1-8H,10-11H2