[[4-[cyano-(4-propylsulfanylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] methanesulfonate

Systemtic Name: [[4-[cyano-(4-propylsulfanylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] methanesulfonate Openeye Name: [[4-[cyano-(4-propylsulfanylphenyl)methylene]cyclohexa-2,5-dien-1-ylidene]amino] methanesulfonate CAS Name: methanesulfonic acid [[4-[cyano-[4-(propylthio)phenyl]methylidene]-1-cyclohexa-2,5-dienylidene]amino] ester IUPAC Name: [[4-[cyano-(4-propylsulfanylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] methanesulfonate Traditional Name: methanesulfonic acid [[4-[cyano-[4-(propylthio)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]amino] ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=C(C=C1)C(=C2C=CC(=NOS(=O)(=O)C)C=C2)C#N

Isomeric SMILES

CCCSC1=CC=C(C=C1)C(=C2C=CC(=NOS(=O)(=O)C)C=C2)C#N

InChI

InChI=1S/C18H18N2O3S2/c1-3-12-24-17-10-6-15(7-11-17)18(13-19)14-4-8-16(9-5-14)20-23-25(2,21)22/h4-11H,3,12H2,1-2H3