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

Systemtic Name: 1-(2-methylpropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Openeye Name: 1-isobutyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione CAS Name: 1-(2-methylpropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione IUPAC Name: 1-(2-methylpropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Traditional Name: 1-isobutyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(CCCC2)C(=S)N=C1C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1C2=C(CCCC2)C(=S)N=C1C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O2S/c1-12(2)11-20-16-9-4-3-8-15(16)18(24)19-17(20)13-6-5-7-14(10-13)21(22)23/h5-7,10,12H,3-4,8-9,11H2,1-2H3