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

Systemtic Name: 1-(2-hydroxyethyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Openeye Name: 1-(2-hydroxyethyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione CAS Name: 1-(2-hydroxyethyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione IUPAC Name: 1-(2-hydroxyethyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Traditional Name: 1-(2-hydroxyethyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=S)N=C(N2CCO)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=S)N=C(N2CCO)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O3S/c20-9-8-18-14-7-2-1-6-13(14)16(23)17-15(18)11-4-3-5-12(10-11)19(21)22/h3-5,10,20H,1-2,6-9H2