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

Systemtic Name: 2-oxidanylidene-5-phenyl-4-sulfanyl-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile Openeye Name: 2-oxo-5-phenyl-4-sulfanyl-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile CAS Name: 4-mercapto-2-oxo-5-phenyl-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile IUPAC Name: 2-oxo-5-phenyl-4-sulfanyl-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile Traditional Name: 2-keto-4-mercapto-5-phenyl-1,5-diazaspiro[5.6]dodec-3-ene-3-carbonitrile Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2(CC1)NC(=O)C(=C(N2C3=CC=CC=C3)S)C#N

Isomeric SMILES

C1CCCC2(CC1)NC(=O)C(=C(N2C3=CC=CC=C3)S)C#N

InChI

InChI=1S/C17H19N3OS/c18-12-14-15(21)19-17(10-6-1-2-7-11-17)20(16(14)22)13-8-4-3-5-9-13/h3-5,8-9,22H,1-2,6-7,10-11H2,(H,19,21)