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

Systemtic Name: 2-(3-nitrophenyl)-1-(1-oxidanylbutan-2-yl)-5,6,7,8-tetrahydroquinazoline-4-thione Openeye Name: 1-[1-(hydroxymethyl)propyl]-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione CAS Name: 1-(1-hydroxybutan-2-yl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione IUPAC Name: 1-(1-hydroxybutan-2-yl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Traditional Name: 1-(1-methylolpropyl)-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:

CCC(CO)N1C2=C(CCCC2)C(=S)N=C1C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(CO)N1C2=C(CCCC2)C(=S)N=C1C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3S/c1-2-13(11-22)20-16-9-4-3-8-15(16)18(25)19-17(20)12-6-5-7-14(10-12)21(23)24/h5-7,10,13,22H,2-4,8-9,11H2,1H3