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

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-allyl-2-[(3-nitrophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(3-nitrophenyl)methylthio]-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-allyl-2-[(3-nitrobenzyl)thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O3S/c1-2-10-23-19(25)18-17(15-8-3-4-9-16(15)21-18)22-20(23)28-12-13-6-5-7-14(11-13)24(26)27/h2-9,11,21H,1,10,12H2