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

Systemtic Name: 3-(2-methoxyethyl)-2-[(3-nitrophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(2-methoxyethyl)-2-[(3-nitrophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-methoxyethyl)-2-[(3-nitrophenyl)methylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2-methoxyethyl)-2-[(3-nitrophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(2-methoxyethyl)-2-[(3-nitrobenzyl)thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S/c1-28-10-9-23-19(25)18-17(15-7-2-3-8-16(15)21-18)22-20(23)29-12-13-5-4-6-14(11-13)24(26)27/h2-8,11,21H,9-10,12H2,1H3