1-[6-[5-(3-chlorophenyl)furan-2-yl]-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one

Systemtic Name: 1-[6-[5-(3-chlorophenyl)furan-2-yl]-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Openeye Name: 1-[6-[5-(3-chlorophenyl)-2-furyl]-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one CAS Name: 1-[6-[5-(3-chlorophenyl)-2-furanyl]-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-1-propanone IUPAC Name: 1-[6-[5-(3-chlorophenyl)furan-2-yl]-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Traditional Name: 1-[6-[5-(3-chlorophenyl)-2-furyl]-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Formula: C24H19ClN4O3S MolecularWeight: 478.95066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(O4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(O4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C24H19ClN4O3S/c1-3-20(30)29-17-10-5-4-9-16(17)21-22(26-24(33-2)28-27-21)32-23(29)19-12-11-18(31-19)14-7-6-8-15(25)13-14/h4-13,23H,3H2,1-2H3