2-[(2,5-dimethylphenyl)methylsulfanyl]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-3-phenyl-5H-pyrimid[5,4-b]indol-4-one Formula: C25H21N3OS MolecularWeight: 411.51874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53

InChI

InChI=1S/C25H21N3OS/c1-16-12-13-17(2)18(14-16)15-30-25-27-22-20-10-6-7-11-21(20)26-23(22)24(29)28(25)19-8-4-3-5-9-19/h3-14,26H,15H2,1-2H3