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

Systemtic Name: (6S)-10-bromanyl-6-(5-methylfuran-2-yl)-3-propylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: (6S)-10-bromo-6-(5-methyl-2-furyl)-3-propylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: (6S)-10-bromo-6-(5-methyl-2-furanyl)-3-(propylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: (6S)-10-bromo-6-(5-methylfuran-2-yl)-3-propylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: (6S)-10-bromo-6-(5-methyl-2-furyl)-3-(propylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C18H17BrN4O2S MolecularWeight: 433.32218

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C3=C(C=CC(=C3)Br)NC(O2)C4=CC=C(O4)C)N=N1

Isomeric SMILES

CCCSC1=NC2=C(C3=C(C=CC(=C3)Br)N[C@@H](O2)C4=CC=C(O4)C)N=N1

InChI

InChI=1S/C18H17BrN4O2S/c1-3-8-26-18-21-17-15(22-23-18)12-9-11(19)5-6-13(12)20-16(25-17)14-7-4-10(2)24-14/h4-7,9,16,20H,3,8H2,1-2H3/t16-/m0/s1