3-[5-(4-methyl-3-nitro-phenyl)furan-2-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[5-(4-methyl-3-nitro-phenyl)furan-2-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[5-(4-methyl-3-nitro-phenyl)furan-2-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[5-(4-methyl-3-nitrophenyl)-2-furanyl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[5-(4-methyl-3-nitrophenyl)furan-2-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[5-(4-methyl-3-nitro-phenyl)-2-furoyl]-2-thioxo-1H-quinazolin-4-one Formula: C20H13N3O5S MolecularWeight: 407.39932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)N3C(=O)C4=CC=CC=C4NC3=S)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)N3C(=O)C4=CC=CC=C4NC3=S)[N+](=O)[O-]

InChI

InChI=1S/C20H13N3O5S/c1-11-6-7-12(10-15(11)23(26)27)16-8-9-17(28-16)19(25)22-18(24)13-4-2-3-5-14(13)21-20(22)29/h2-10H,1H3,(H,21,29)