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

Systemtic Name: 5-(3-methylphenyl)-2-oxidanylidene-4-sulfanyl-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile Openeye Name: 5-(m-tolyl)-2-oxo-4-sulfanyl-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile CAS Name: 4-mercapto-5-(3-methylphenyl)-2-oxo-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile IUPAC Name: 5-(3-methylphenyl)-2-oxo-4-sulfanyl-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile Traditional Name: 2-keto-4-mercapto-5-(m-tolyl)-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3OS/c1-13-7-6-8-14(11-13)21-17(23)15(12-19)16(22)20-18(21)9-4-2-3-5-10-18/h6-8,11,23H,2-5,9-10H2,1H3,(H,20,22)