4-[(4-nitrophenyl)methylsulfanyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline

Systemtic Name: 4-[(4-nitrophenyl)methylsulfanyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline Openeye Name: 4-[(4-nitrophenyl)methylsulfanyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline CAS Name: 4-[(4-nitrophenyl)methylthio]-2-phenyl-5,6,7,8-tetrahydroquinazoline IUPAC Name: 4-[(4-nitrophenyl)methylsulfanyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline Traditional Name: 4-[(4-nitrobenzyl)thio]-2-phenyl-5,6,7,8-tetrahydroquinazoline Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=N2)C3=CC=CC=C3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=N2)C3=CC=CC=C3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

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