3-[2-(5-ethylthiophen-2-yl)-2-oxidanylidene-ethyl]-6-nitro-quinazolin-4-one

Systemtic Name: 3-[2-(5-ethylthiophen-2-yl)-2-oxidanylidene-ethyl]-6-nitro-quinazolin-4-one Openeye Name: 3-[2-(5-ethyl-2-thienyl)-2-oxo-ethyl]-6-nitro-quinazolin-4-one CAS Name: 3-[2-(5-ethyl-2-thiophenyl)-2-oxoethyl]-6-nitro-4-quinazolinone IUPAC Name: 3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-6-nitroquinazolin-4-one Traditional Name: 3-[2-(5-ethyl-2-thienyl)-2-keto-ethyl]-6-nitro-quinazolin-4-one Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(S1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4S/c1-2-11-4-6-15(24-11)14(20)8-18-9-17-13-5-3-10(19(22)23)7-12(13)16(18)21/h3-7,9H,2,8H2,1H3