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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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