(2S)-1-(3-nitrophenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butan-1-one

Systemtic Name: (2S)-1-(3-nitrophenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butan-1-one Openeye Name: (2S)-1-(3-nitrophenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butan-1-one CAS Name: (2S)-1-(3-nitrophenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)thio]-1-butanone IUPAC Name: (2S)-1-(3-nitrophenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butan-1-one Traditional Name: (2S)-1-(3-nitrophenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)thio]butan-1-one Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC=C(N=N2)C3=CC=CC=C3

Isomeric SMILES

CC[C@@H](C(=O)C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC=C(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C19H16N4O3S/c1-2-17(18(24)14-9-6-10-15(11-14)23(25)26)27-19-20-12-16(21-22-19)13-7-4-3-5-8-13/h3-12,17H,2H2,1H3/t17-/m0/s1