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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N4O2S/c31-30(32)22-11-7-20(8-12-22)25-28-26(33)23-3-1-2-4-24(23)29(25)21-9-5-18(6-10-21)17-19-13-15-27-16-14-19/h5-16H,1-4,17H2