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

Systemtic Name: 2-[(3-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(4-keto-3-methyl-5H-pyrimid[5,4-b]indol-2-yl)thio]-N-(4-nitrophenyl)acetamide Formula: C19H15N5O4S MolecularWeight: 409.4185

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O4S/c1-23-18(26)17-16(13-4-2-3-5-14(13)21-17)22-19(23)29-10-15(25)20-11-6-8-12(9-7-11)24(27)28/h2-9,21H,10H2,1H3,(H,20,25)