5-(2-ethylphenyl)-2-oxidanylidene-4-sulfanyl-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile

Systemtic Name: 5-(2-ethylphenyl)-2-oxidanylidene-4-sulfanyl-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile Openeye Name: 5-(2-ethylphenyl)-2-oxo-4-sulfanyl-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile CAS Name: 5-(2-ethylphenyl)-4-mercapto-2-oxo-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile IUPAC Name: 5-(2-ethylphenyl)-2-oxo-4-sulfanyl-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile Traditional Name: 5-(2-ethylphenyl)-2-keto-4-mercapto-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile Formula: C19H23N3OS MolecularWeight: 341.47042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=C(C(=O)NC23CCCCCC3)C#N)S

Isomeric SMILES

CCC1=CC=CC=C1N2C(=C(C(=O)NC23CCCCCC3)C#N)S

InChI

InChI=1S/C19H23N3OS/c1-2-14-9-5-6-10-16(14)22-18(24)15(13-20)17(23)21-19(22)11-7-3-4-8-12-19/h5-6,9-10,24H,2-4,7-8,11-12H2,1H3,(H,21,23)