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

Systemtic Name: 2-(3-nitrophenyl)-1-(phenylmethyl)-5,6,7,8-tetrahydroquinazoline-4-thione Openeye Name: 1-benzyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione CAS Name: 2-(3-nitrophenyl)-1-(phenylmethyl)-5,6,7,8-tetrahydroquinazoline-4-thione IUPAC Name: 1-benzyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Traditional Name: 1-benzyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Formula: C21H19N3O2S MolecularWeight: 377.45946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=S)N=C(N2CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=S)N=C(N2CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O2S/c25-24(26)17-10-6-9-16(13-17)20-22-21(27)18-11-4-5-12-19(18)23(20)14-15-7-2-1-3-8-15/h1-3,6-10,13H,4-5,11-12,14H2