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

Systemtic Name: 1-(3-methylphenyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Openeye Name: 1-(m-tolyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione CAS Name: 1-(3-methylphenyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione IUPAC Name: 1-(3-methylphenyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Traditional Name: 1-(m-tolyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(CCCC3)C(=S)N=C2C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(CCCC3)C(=S)N=C2C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O2S/c1-14-6-4-8-16(12-14)23-19-11-3-2-10-18(19)21(27)22-20(23)15-7-5-9-17(13-15)24(25)26/h4-9,12-13H,2-3,10-11H2,1H3