2-[2-(3-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]ethanoic acid

Systemtic Name: 2-[2-(3-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]ethanoic acid Openeye Name: 2-[2-(3-nitrophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]acetic acid CAS Name: 2-[2-(3-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]acetic acid IUPAC Name: 2-[2-(3-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]acetic acid Traditional Name: 2-[2-(3-nitrophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]acetic acid Formula: C16H15N3O4S MolecularWeight: 345.373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=S)N=C(N2CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=S)N=C(N2CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4S/c20-14(21)9-18-13-7-2-1-6-12(13)16(24)17-15(18)10-4-3-5-11(8-10)19(22)23/h3-5,8H,1-2,6-7,9H2,(H,20,21)