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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

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