2-(3-nitrophenyl)-1-[4-(pyridin-4-ylmethyl)phenyl]-5,6,7,8-tetrahydroquinazoline-4-thione

Systemtic Name: 2-(3-nitrophenyl)-1-[4-(pyridin-4-ylmethyl)phenyl]-5,6,7,8-tetrahydroquinazoline-4-thione Openeye Name: 2-(3-nitrophenyl)-1-[4-(4-pyridylmethyl)phenyl]-5,6,7,8-tetrahydroquinazoline-4-thione CAS Name: 2-(3-nitrophenyl)-1-[4-(pyridin-4-ylmethyl)phenyl]-5,6,7,8-tetrahydroquinazoline-4-thione IUPAC Name: 2-(3-nitrophenyl)-1-[4-(pyridin-4-ylmethyl)phenyl]-5,6,7,8-tetrahydroquinazoline-4-thione Traditional Name: 2-(3-nitrophenyl)-1-[4-(4-pyridylmethyl)phenyl]-5,6,7,8-tetrahydroquinazoline-4-thione Formula: C26H22N4O2S MolecularWeight: 454.54348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=S)N=C(N2C3=CC=C(C=C3)CC4=CC=NC=C4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=S)N=C(N2C3=CC=C(C=C3)CC4=CC=NC=C4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H22N4O2S/c31-30(32)22-5-3-4-20(17-22)25-28-26(33)23-6-1-2-7-24(23)29(25)21-10-8-18(9-11-21)16-19-12-14-27-15-13-19/h3-5,8-15,17H,1-2,6-7,16H2