(6S)-10-bromanyl-6-(3-nitrophenyl)-3-propylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: (6S)-10-bromanyl-6-(3-nitrophenyl)-3-propylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: (6S)-10-bromo-6-(3-nitrophenyl)-3-propylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: (6S)-10-bromo-6-(3-nitrophenyl)-3-(propylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: (6S)-10-bromo-6-(3-nitrophenyl)-3-propylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: (6S)-10-bromo-6-(3-nitrophenyl)-3-(propylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C19H16BrN5O3S MolecularWeight: 474.33104

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C3=C(C=CC(=C3)Br)NC(O2)C4=CC(=CC=C4)[N+](=O)[O-])N=N1

Isomeric SMILES

CCCSC1=NC2=C(C3=C(C=CC(=C3)Br)N[C@@H](O2)C4=CC(=CC=C4)[N+](=O)[O-])N=N1

InChI

InChI=1S/C19H16BrN5O3S/c1-2-8-29-19-22-18-16(23-24-19)14-10-12(20)6-7-15(14)21-17(28-18)11-4-3-5-13(9-11)25(26)27/h3-7,9-10,17,21H,2,8H2,1H3/t17-/m0/s1