2-[[6-azanyl-3,5-dicyano-4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]sulfanyl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[[6-azanyl-3,5-dicyano-4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyridin-2-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[6-amino-3,5-dicyano-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]thio]-N-cyclohexyl-acetamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=C(C(=C3C=CC(=O)C=C3)C(=C(N2)N)C#N)C#N

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=C(C(=C3C=CC(=O)C=C3)C(=C(N2)N)C#N)C#N

InChI

InChI=1S/C21H21N5O2S/c22-10-16-19(13-6-8-15(27)9-7-13)17(11-23)21(26-20(16)24)29-12-18(28)25-14-4-2-1-3-5-14/h6-9,14,26H,1-5,12,24H2,(H,25,28)