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

Systemtic Name: (6R)-10-bromanyl-6-(5-methylfuran-2-yl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: (6R)-10-bromo-6-(5-methyl-2-furyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: (6R)-10-bromo-6-(5-methyl-2-furanyl)-3-(methylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: (6R)-10-bromo-6-(5-methylfuran-2-yl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: (6R)-10-bromo-6-(5-methyl-2-furyl)-3-(methylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C16H13BrN4O2S MolecularWeight: 405.26902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2NC3=C(C=C(C=C3)Br)C4=C(O2)N=C(N=N4)SC

Isomeric SMILES

CC1=CC=C(O1)[C@@H]2NC3=C(C=C(C=C3)Br)C4=C(O2)N=C(N=N4)SC

InChI

InChI=1S/C16H13BrN4O2S/c1-8-3-6-12(22-8)14-18-11-5-4-9(17)7-10(11)13-15(23-14)19-16(24-2)21-20-13/h3-7,14,18H,1-2H3/t14-/m1/s1