4-[(Z)-1-phenyl-3-propyl-2-sulfanyl-hept-1-enyl]iminocyclohexa-2,5-dien-1-one

Systemtic Name: 4-[(Z)-1-phenyl-3-propyl-2-sulfanyl-hept-1-enyl]iminocyclohexa-2,5-dien-1-one Openeye Name: 4-[(Z)-1-phenyl-3-propyl-2-sulfanyl-hept-1-enyl]iminocyclohexa-2,5-dien-1-one CAS Name: 4-[(Z)-2-mercapto-1-phenyl-3-propylhept-1-enyl]imino-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(Z)-1-phenyl-3-propyl-2-sulfanylhept-1-enyl]iminocyclohexa-2,5-dien-1-one Traditional Name: 4-[(Z)-2-mercapto-1-phenyl-3-propyl-hept-1-enyl]iminocyclohexa-2,5-dien-1-one Formula: C22H27NOS MolecularWeight: 353.52088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)C(=C(C1=CC=CC=C1)N=C2C=CC(=O)C=C2)S

Isomeric SMILES

CCCCC(CCC)/C(=C(\C1=CC=CC=C1)/N=C2C=CC(=O)C=C2)/S

InChI

InChI=1S/C22H27NOS/c1-3-5-10-18(9-4-2)22(25)21(17-11-7-6-8-12-17)23-19-13-15-20(24)16-14-19/h6-8,11-16,18,25H,3-5,9-10H2,1-2H3/b22-21-