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

Systemtic Name: 5-(2,5-dimethylphenyl)-2-oxidanylidene-4-sulfanyl-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile Openeye Name: 5-(2,5-dimethylphenyl)-2-oxo-4-sulfanyl-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile CAS Name: 5-(2,5-dimethylphenyl)-4-mercapto-2-oxo-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile IUPAC Name: 5-(2,5-dimethylphenyl)-2-oxo-4-sulfanyl-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile Traditional Name: 5-(2,5-dimethylphenyl)-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:

CC1=CC(=C(C=C1)C)N2C(=C(C(=O)NC23CCCCCC3)C#N)S

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=C(C(=O)NC23CCCCCC3)C#N)S

InChI

InChI=1S/C19H23N3OS/c1-13-7-8-14(2)16(11-13)22-18(24)15(12-20)17(23)21-19(22)9-5-3-4-6-10-19/h7-8,11,24H,3-6,9-10H2,1-2H3,(H,21,23)