2-[[3-(4-nitrophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[3-(4-nitrophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide CAS Name: 2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]acetamide IUPAC Name: 2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide Traditional Name: 2-[[4-keto-3-(4-nitrophenyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]acetamide Formula: C18H13N5O4S MolecularWeight: 395.39192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC(=O)N)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC(=O)N)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O4S/c19-14(24)9-28-18-21-15-12-3-1-2-4-13(12)20-16(15)17(25)22(18)10-5-7-11(8-6-10)23(26)27/h1-8,20H,9H2,(H2,19,24)