3-[(2S)-butan-2-yl]-2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(2S)-butan-2-yl]-2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-[(1S)-1-methylpropyl]-2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-[(2S)-butan-2-yl]-2-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-[(2S)-butan-2-yl]-2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-[(1S)-1-methylpropyl]-2-[[(1R)-1-(3-nitrophenyl)ethyl]thio]quinazolin-4-one Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O3S/c1-4-13(2)22-19(24)17-10-5-6-11-18(17)21-20(22)27-14(3)15-8-7-9-16(12-15)23(25)26/h5-14H,4H2,1-3H3/t13-,14+/m0/s1