5-ethylsulfanyl-7-oxidanylidene-2-phenyl-4H-indeno[2,1-g][1,3,4]oxadiazocine-6-carbonitrile

Systemtic Name: 5-ethylsulfanyl-7-oxidanylidene-2-phenyl-4H-indeno[2,1-g][1,3,4]oxadiazocine-6-carbonitrile Openeye Name: 5-ethylsulfanyl-7-oxo-2-phenyl-4H-indeno[2,1-g][1,3,4]oxadiazocine-6-carbonitrile CAS Name: 5-(ethylthio)-7-oxo-2-phenyl-4H-indeno[2,1-g][1,3,4]oxadiazocine-6-carbonitrile IUPAC Name: 5-ethylsulfanyl-7-oxo-2-phenyl-4H-indeno[2,1-g][1,3,4]oxadiazocine-6-carbonitrile Traditional Name: 5-(ethylthio)-7-keto-2-phenyl-4H-indeno[2,1-g][1,3,4]oxadiazocine-6-carbonitrile Formula: C21H15N3O2S MolecularWeight: 373.4277

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C2=C(C3=CC=CC=C3C2=O)OC(=NN1)C4=CC=CC=C4)C#N

Isomeric SMILES

CCSC1=C(C2=C(C3=CC=CC=C3C2=O)OC(=NN1)C4=CC=CC=C4)C#N

InChI

InChI=1S/C21H15N3O2S/c1-2-27-21-16(12-22)17-18(25)14-10-6-7-11-15(14)19(17)26-20(23-24-21)13-8-4-3-5-9-13/h3-11,24H,2H2,1H3