2-(3-nitrophenyl)-1-(3-oxidanylpropyl)-5,6,7,8-tetrahydroquinazoline-4-thione

Systemtic Name: 2-(3-nitrophenyl)-1-(3-oxidanylpropyl)-5,6,7,8-tetrahydroquinazoline-4-thione Openeye Name: 1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione CAS Name: 1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione IUPAC Name: 1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Traditional Name: 1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Formula: C17H19N3O3S MolecularWeight: 345.41606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=S)N=C(N2CCCO)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=S)N=C(N2CCCO)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O3S/c21-10-4-9-19-15-8-2-1-7-14(15)17(24)18-16(19)12-5-3-6-13(11-12)20(22)23/h3,5-6,11,21H,1-2,4,7-10H2