2-(3-ethylsulfanyl-4-methoxy-5-propan-2-yl-cyclohepta-2,4,6-trien-1-ylidene)propanedinitrile

Systemtic Name: 2-(3-ethylsulfanyl-4-methoxy-5-propan-2-yl-cyclohepta-2,4,6-trien-1-ylidene)propanedinitrile Openeye Name: 2-(3-ethylsulfanyl-5-isopropyl-4-methoxy-cyclohepta-2,4,6-trien-1-ylidene)propanedinitrile CAS Name: 2-[3-(ethylthio)-4-methoxy-5-propan-2-yl-1-cyclohepta-2,4,6-trienylidene]propanedinitrile IUPAC Name: 2-(3-ethylsulfanyl-4-methoxy-5-propan-2-ylcyclohepta-2,4,6-trien-1-ylidene)propanedinitrile Traditional Name: 2-[3-(ethylthio)-5-isopropyl-4-methoxy-cyclohepta-2,4,6-trien-1-ylidene]malononitrile Formula: C16H18N2OS MolecularWeight: 286.39192

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=C(C#N)C#N)C=CC(=C1OC)C(C)C

Isomeric SMILES

CCSC1=CC(=C(C#N)C#N)C=CC(=C1OC)C(C)C

InChI

InChI=1S/C16H18N2OS/c1-5-20-15-8-12(13(9-17)10-18)6-7-14(11(2)3)16(15)19-4/h6-8,11H,5H2,1-4H3