5-naphthalen-1-yl-2-oxidanylidene-4-sulfanyl-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile

Systemtic Name: 5-naphthalen-1-yl-2-oxidanylidene-4-sulfanyl-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile Openeye Name: 5-(1-naphthyl)-2-oxo-4-sulfanyl-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile CAS Name: 4-mercapto-5-(1-naphthalenyl)-2-oxo-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile IUPAC Name: 5-naphthalen-1-yl-2-oxo-4-sulfanyl-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile Traditional Name: 2-keto-4-mercapto-5-(1-naphthyl)-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2(CC1)NC(=O)C(=C(N2C3=CC=CC4=CC=CC=C43)S)C#N

Isomeric SMILES

C1CCCC2(CC1)NC(=O)C(=C(N2C3=CC=CC4=CC=CC=C43)S)C#N

InChI

InChI=1S/C21H21N3OS/c22-14-17-19(25)23-21(12-5-1-2-6-13-21)24(20(17)26)18-11-7-9-15-8-3-4-10-16(15)18/h3-4,7-11,26H,1-2,5-6,12-13H2,(H,23,25)