5-fluoranyl-3'-(phenylmethylsulfanyl)spiro[1H-indole-3,6'-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]-2-one

Systemtic Name: 5-fluoranyl-3'-(phenylmethylsulfanyl)spiro[1H-indole-3,6'-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]-2-one Openeye Name: 3-benzylsulfanyl-5'-fluoro-spiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,3'-indoline]-2'-one CAS Name: 5-fluoro-3'-(phenylmethylthio)-2-spiro[1H-indole-3,6'-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]one IUPAC Name: 3'-benzylsulfanyl-5-fluorospiro[1H-indole-3,6'-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]-2-one Traditional Name: 3-(benzylthio)-5'-fluoro-spiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,3'-indoline]-2'-one Formula: C24H16FN5O2S MolecularWeight: 457.479543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4NC5(O3)C6=C(C=CC(=C6)F)NC5=O)N=N2

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4NC5(O3)C6=C(C=CC(=C6)F)NC5=O)N=N2

InChI

InChI=1S/C24H16FN5O2S/c25-15-10-11-19-17(12-15)24(22(31)26-19)28-18-9-5-4-8-16(18)20-21(32-24)27-23(30-29-20)33-13-14-6-2-1-3-7-14/h1-12,28H,13H2,(H,26,31)