3-(4-methylphenyl)-2-[(1R)-1-phenylethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(4-methylphenyl)-2-[(1R)-1-phenylethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(1R)-1-phenylethyl]sulfanyl-3-(p-tolyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(4-methylphenyl)-2-[[(1R)-1-phenylethyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(4-methylphenyl)-2-[(1R)-1-phenylethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[[(1R)-1-phenylethyl]thio]-3-(p-tolyl)-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)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SC(C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2S[C@H](C)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3OS/c1-16-12-14-19(15-13-16)28-24(29)23-22(20-10-6-7-11-21(20)26-23)27-25(28)30-17(2)18-8-4-3-5-9-18/h3-15,17,26H,1-2H3/t17-/m1/s1