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

Systemtic Name: 1-(3-methoxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Openeye Name: 1-(3-methoxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione CAS Name: 1-(3-methoxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione IUPAC Name: 1-(3-methoxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Traditional Name: 1-(3-methoxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C2=C(CCCC2)C(=S)N=C1C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COCCCN1C2=C(CCCC2)C(=S)N=C1C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3S/c1-24-11-5-10-20-16-9-3-2-8-15(16)18(25)19-17(20)13-6-4-7-14(12-13)21(22)23/h4,6-7,12H,2-3,5,8-11H2,1H3