2-[(3,4-dichlorophenyl)methylsulfanyl]-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-allyl-2-[(3,4-dichlorophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-allyl-2-[(3,4-dichlorobenzyl)thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C20H15Cl2N3OS MolecularWeight: 416.3236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H15Cl2N3OS/c1-2-9-25-19(26)18-17(13-5-3-4-6-16(13)23-18)24-20(25)27-11-12-7-8-14(21)15(22)10-12/h2-8,10,23H,1,9,11H2