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

Systemtic Name: 4-(2-methylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-4-(o-tolyl)-5,6,7,8-tetrahydroquinazoline CAS Name: 4-(2-methylphenyl)-2-[(4-nitrophenyl)methylthio]-5,6,7,8-tetrahydroquinazoline IUPAC Name: 4-(2-methylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline Traditional Name: 2-[(4-nitrobenzyl)thio]-4-(o-tolyl)-5,6,7,8-tetrahydroquinazoline Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C3CCCCC3=NC(=N2)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=C3CCCCC3=NC(=N2)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O2S/c1-15-6-2-3-7-18(15)21-19-8-4-5-9-20(19)23-22(24-21)28-14-16-10-12-17(13-11-16)25(26)27/h2-3,6-7,10-13H,4-5,8-9,14H2,1H3