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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C(=O)NC23CCCCCC3)C#N)S

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C(=O)NC23CCCCCC3)C#N)S

InChI

InChI=1S/C18H21N3OS/c1-13-8-4-5-9-15(13)21-17(23)14(12-19)16(22)20-18(21)10-6-2-3-7-11-18/h4-5,8-9,23H,2-3,6-7,10-11H2,1H3,(H,20,22)