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

Systemtic Name: 5-(4-butylphenyl)-2-oxidanylidene-4-sulfanyl-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile Openeye Name: 5-(4-butylphenyl)-2-oxo-4-sulfanyl-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile CAS Name: 5-(4-butylphenyl)-4-mercapto-2-oxo-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile IUPAC Name: 5-(4-butylphenyl)-2-oxo-4-sulfanyl-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile Traditional Name: 5-(4-butylphenyl)-2-keto-4-mercapto-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(C(=O)NC23CCCCCC3)C#N)S

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(C(=O)NC23CCCCCC3)C#N)S

InChI

InChI=1S/C21H27N3OS/c1-2-3-8-16-9-11-17(12-10-16)24-20(26)18(15-22)19(25)23-21(24)13-6-4-5-7-14-21/h9-12,26H,2-8,13-14H2,1H3,(H,23,25)