2-[(1S)-1-(3-nitrophenyl)ethyl]sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one

Systemtic Name: 2-[(1S)-1-(3-nitrophenyl)ethyl]sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Openeye Name: 2-[(1S)-1-(3-nitrophenyl)ethyl]sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one CAS Name: 2-[[(1S)-1-(3-nitrophenyl)ethyl]thio]-3-(1H-1,2,4-triazol-5-yl)-4-quinazolinone IUPAC Name: 2-[(1S)-1-(3-nitrophenyl)ethyl]sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Traditional Name: 2-[[(1S)-1-(3-nitrophenyl)ethyl]thio]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Formula: C18H14N6O3S MolecularWeight: 394.40716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

InChI

InChI=1S/C18H14N6O3S/c1-11(12-5-4-6-13(9-12)24(26)27)28-18-21-15-8-3-2-7-14(15)16(25)23(18)17-19-10-20-22-17/h2-11H,1H3,(H,19,20,22)/t11-/m0/s1