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

Systemtic Name: 2-(3-nitrophenyl)-1-(3-propan-2-yloxypropyl)-5,6,7,8-tetrahydroquinazoline-4-thione Openeye Name: 1-(3-isopropoxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione CAS Name: 2-(3-nitrophenyl)-1-(3-propan-2-yloxypropyl)-5,6,7,8-tetrahydroquinazoline-4-thione IUPAC Name: 2-(3-nitrophenyl)-1-(3-propan-2-yloxypropyl)-5,6,7,8-tetrahydroquinazoline-4-thione Traditional Name: 1-(3-isopropoxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C2=C(CCCC2)C(=S)N=C1C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OCCCN1C2=C(CCCC2)C(=S)N=C1C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O3S/c1-14(2)26-12-6-11-22-18-10-4-3-9-17(18)20(27)21-19(22)15-7-5-8-16(13-15)23(24)25/h5,7-8,13-14H,3-4,6,9-12H2,1-2H3