3-(4-nitrophenyl)-2-(phenylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(4-nitrophenyl)-2-(phenylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-benzylsulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(4-nitrophenyl)-2-(phenylmethylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-benzylsulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(benzylthio)-3-(4-nitrophenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C23H16N4O3S MolecularWeight: 428.46314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=CC=C53

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=CC=C53

InChI

InChI=1S/C23H16N4O3S/c28-22-21-20(18-8-4-5-9-19(18)24-21)25-23(31-14-15-6-2-1-3-7-15)26(22)16-10-12-17(13-11-16)27(29)30/h1-13,24H,14H2