3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-7-nitro-quinazolin-4-one

Systemtic Name: 3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-7-nitro-quinazolin-4-one Openeye Name: 3-[2-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-oxo-ethyl]-7-nitro-quinazolin-4-one CAS Name: 3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl]-7-nitro-4-quinazolinone IUPAC Name: 3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-7-nitroquinazolin-4-one Traditional Name: 3-[2-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-keto-ethyl]-7-nitro-quinazolin-4-one Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S/c1-13-8-18(14(2)24(13)10-16-4-3-7-30-16)20(26)11-23-12-22-19-9-15(25(28)29)5-6-17(19)21(23)27/h3-9,12H,10-11H2,1-2H3