4-[[(5Z)-6-ethyl-2-oxidanylidene-5-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,3,4-thiadiazinan-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(5Z)-6-ethyl-2-oxidanylidene-5-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,3,4-thiadiazinan-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[(5Z)-6-ethyl-5-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-oxo-1,3,4-thiadiazinan-3-yl]methyl]benzonitrile CAS Name: 4-[[(5Z)-6-ethyl-5-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-2-oxo-1,3,4-thiadiazinan-3-yl]methyl]benzonitrile IUPAC Name: 4-[[(5Z)-6-ethyl-5-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-2-oxo-1,3,4-thiadiazinan-3-yl]methyl]benzonitrile Traditional Name: 4-[[(5Z)-6-ethyl-5-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-2-keto-1,3,4-thiadiazinan-3-yl]methyl]benzonitrile Formula: C19H17N3O3S MolecularWeight: 367.42158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C2C=CC(=O)C(=C2)O)NN(C(=O)S1)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1/C(=C/2\C=CC(=O)C(=C2)O)/NN(C(=O)S1)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H17N3O3S/c1-2-17-18(14-7-8-15(23)16(24)9-14)21-22(19(25)26-17)11-13-5-3-12(10-20)4-6-13/h3-9,17,21,24H,2,11H2,1H3/b18-14-