6-chloranyl-3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]-3H-cinnolin-4-one

Systemtic Name: 6-chloranyl-3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]-3H-cinnolin-4-one Openeye Name: 6-chloro-3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]-3H-cinnolin-4-one CAS Name: 6-chloro-3-[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]-3H-cinnolin-4-one IUPAC Name: 6-chloro-3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]-3H-cinnolin-4-one Traditional Name: 6-chloro-3-[(E)-3-[4-(methylthio)phenyl]acryloyl]-3H-cinnolin-4-one Formula: C18H13ClN2O2S MolecularWeight: 356.82602

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)C2C(=O)C3=C(C=CC(=C3)Cl)N=N2

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)C2C(=O)C3=C(C=CC(=C3)Cl)N=N2

InChI

InChI=1S/C18H13ClN2O2S/c1-24-13-6-2-11(3-7-13)4-9-16(22)17-18(23)14-10-12(19)5-8-15(14)20-21-17/h2-10,17H,1H3/b9-4+