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

Systemtic Name: 2-(4-methoxyphenyl)-1-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Openeye Name: 2-(4-methoxyphenyl)-1-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione CAS Name: 2-(4-methoxyphenyl)-1-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione IUPAC Name: 2-(4-methoxyphenyl)-1-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Traditional Name: 2-(4-methoxyphenyl)-1-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=S)C3=C(N2C4=CC(=CC=C4)[N+](=O)[O-])CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=S)C3=C(N2C4=CC(=CC=C4)[N+](=O)[O-])CCCC3

InChI

InChI=1S/C21H19N3O3S/c1-27-17-11-9-14(10-12-17)20-22-21(28)18-7-2-3-8-19(18)23(20)15-5-4-6-16(13-15)24(25)26/h4-6,9-13H,2-3,7-8H2,1H3