2-(1-phenylethylsulfanyl)-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-(1-phenylethylsulfanyl)-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-allyl-2-(1-phenylethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-(1-phenylethylthio)-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-(1-phenylethylsulfanyl)-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-allyl-2-(1-phenylethylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=NC3=C(C(=O)N2CC=C)NC4=CC=CC=C43

Isomeric SMILES

CC(C1=CC=CC=C1)SC2=NC3=C(C(=O)N2CC=C)NC4=CC=CC=C43

InChI

InChI=1S/C21H19N3OS/c1-3-13-24-20(25)19-18(16-11-7-8-12-17(16)22-19)23-21(24)26-14(2)15-9-5-4-6-10-15/h3-12,14,22H,1,13H2,2H3