11-(4-chlorophenyl)-8-oxidanylidene-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile

Systemtic Name: 11-(4-chlorophenyl)-8-oxidanylidene-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile Openeye Name: 11-(4-chlorophenyl)-8-oxo-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile CAS Name: 11-(4-chlorophenyl)-10-mercapto-8-oxo-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile IUPAC Name: 11-(4-chlorophenyl)-8-oxo-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile Traditional Name: 11-(4-chlorophenyl)-8-keto-10-mercapto-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile Formula: C16H16ClN3OS MolecularWeight: 333.83574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)NC(=O)C(=C(N2C3=CC=C(C=C3)Cl)S)C#N

Isomeric SMILES

C1CCC2(CC1)NC(=O)C(=C(N2C3=CC=C(C=C3)Cl)S)C#N

InChI

InChI=1S/C16H16ClN3OS/c17-11-4-6-12(7-5-11)20-15(22)13(10-18)14(21)19-16(20)8-2-1-3-9-16/h4-7,22H,1-3,8-9H2,(H,19,21)