1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione

Systemtic Name: 1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Openeye Name: 1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione CAS Name: 1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione IUPAC Name: 1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Traditional Name: 1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Formula: C16H17N3O3S MolecularWeight: 331.38948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=S)N=C(N2CCO)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=S)N=C(N2CCO)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O3S/c20-10-9-18-14-4-2-1-3-13(14)16(23)17-15(18)11-5-7-12(8-6-11)19(21)22/h5-8,20H,1-4,9-10H2